AC1O5FZI

2-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;(E)-4-hydroxy-4-oxobut-2-enoate

Also Known As: Isoquinoline, 1,2,3,4-tetrahydro-2-(p-chlorobenzyl)-6,7-dimethoxy-1-methyl-, fumarate|2-(p-Chlorobenzyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline fumarate|Isoquinoline, 2-((4-chlorophenyl)methyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-, (2E)-2-butenedioate (1:1)|2-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium; (E)-4-hydroxy-4-oxobut-2-enoate|Isoquinoline, 2-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-, (E)-2-butenedioate (1:1)

Molecular Formula	C23H26ClNO6
Molecular Weight	447.14487 g/mol
LogP	1.4365
Topological Polar Surface Area	100.33 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	447.14487
Monoisotopic Mass	447.14487
Heavy Atoms	31
Complexity	925.82806

Chemical Identifiers

CAS Number	2004-29-7
SMILES	CC1C2=CC(=C(C=C2CC[NH+]1CC3=CC=C(C=C3)Cl)OC)OC.C(=C/C(=O)[O-])\C(=O)O