4-(4-phenylpiperazin-1-yl)butyl 3,4,5-trimethoxybenzoate dihydrochloride

Systemtic Name: 4-(4-phenylpiperazin-1-yl)butyl 3,4,5-trimethoxybenzoate dihydrochloride Openeye Name: 4-(4-phenylpiperazin-1-yl)butyl 3,4,5-trimethoxybenzoate dihydrochloride CAS Name: 3,4,5-trimethoxybenzoic acid 4-(4-phenyl-1-piperazinyl)butyl ester dihydrochloride IUPAC Name: 4-(4-phenylpiperazin-1-yl)butyl 3,4,5-trimethoxybenzoate dihydrochloride Traditional Name: 3,4,5-trimethoxybenzoic acid 4-(4-phenylpiperazino)butyl ester dihydrochloride Formula: C24H34Cl2N2O5 MolecularWeight: 501.44316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCN2CCN(CC2)C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCN2CCN(CC2)C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C24H32N2O5.2ClH/c1-28-21-17-19(18-22(29-2)23(21)30-3)24(27)31-16-8-7-11-25-12-14-26(15-13-25)20-9-5-4-6-10-20;;/h4-6,9-10,17-18H,7-8,11-16H2,1-3H3;2*1H