AC1O5FZL
2-[3-(4-chlorophenyl)propyl]-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-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-, fumarate|2-(3-(p-Chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline fumarate|Isoquinoline, 2-(3-(4-chlorophenyl)propyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-, (E)-2-butenedioate (1:1)|2-[3-(4-chlorophenyl)propyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium; (E)-4-hydroxy-4-oxobut-2-enoate|Isoquinoline, 2-[3-(4-chlorophenyl)propyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-, (E)-2-butenedioate (1:1)
| Molecular Formula | C25H30ClNO6 |
|---|---|
| Molecular Weight | 475.17618 g/mol |
| LogP | 1.8691 |
| Topological Polar Surface Area | 100.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 475.17618 |
| Monoisotopic Mass | 475.17618 |
| Heavy Atoms | 33 |
| Complexity | 957.6076 |
Chemical Identifiers
| CAS Number | 2004-31-1 |
|---|---|
| SMILES | CC1C2=CC(=C(C=C2CC[NH+]1CCCC3=CC=C(C=C3)Cl)OC)OC.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
AC1O5FZL (CAS 2004-31-1), with molecular formula C25H30ClNO6 and molecular weight 475.17618 g/mol. IUPAC: 2-[3-(4-chlorophenyl)propyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;(E)-4-hydroxy-4-oxobut-2-enoate.