IUPAC Name: 1-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,

[Synonyms]

[Structure]

[ Properties Computed from Structure]

Molecular Weight	650.8677 [g/mol]
Molecular Formula	C37H50N2O6S
XLogP	4.8
H-Bond Donor	1
H-Bond Acceptor	8
Rotatable Bond Count	13
Exact Mass	650.338958
MonoIsotopic Mass	650.338958
Topological Polar Surface Area	76.8
Heavy Atom Count	46
Formal Charge	0
Complexity	932
Isotope Atom Count	0
Defined Atom StereoCenter Count	4
Undefined Atom StereoCenter Count	1
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: 1-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,
11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-6,7-dimethoxy-3,
4-dihydro-1H-isoquinolin-2-yl]-3-(furan-2-ylmethylsulfanyl)propan-2-ol
Canonical SMILES: CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4CC(CSCC6=CC=CO6)O)OC)OC)
OC)OC
Isomeric SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4CC
(CSCC6=CC=CO6)O)OC)OC)OC)OC
InChI: InChI=1/C37H50N2O6S/c1-6-24-20-38-11-9-25-16-34(41-2)36(43-4)18-30(25)32
(38)14-27(24)15-33-31-19-37(44-5)35(42-3)17-26(31)10-12-39(33)21-28(40)
22-46-23-29-8-7-13-45-29/h7-8,13,16-19,24,27-28,32-33,40H,6,9-12,14-15,
20-23H2,1-5H3/t24-,27+,28?,32-,33+/m0/s1