3-(4-pyridin-2-ylpiperazin-1-yl)propyl 3,4,5-trimethoxybenzoate dihydrochloride

Systemtic Name: 3-(4-pyridin-2-ylpiperazin-1-yl)propyl 3,4,5-trimethoxybenzoate dihydrochloride Openeye Name: 3-[4-(2-pyridyl)piperazin-1-yl]propyl 3,4,5-trimethoxybenzoate dihydrochloride CAS Name: 3,4,5-trimethoxybenzoic acid 3-[4-(2-pyridinyl)-1-piperazinyl]propyl ester dihydrochloride IUPAC Name: 3-(4-pyridin-2-ylpiperazin-1-yl)propyl 3,4,5-trimethoxybenzoate dihydrochloride Traditional Name: 3,4,5-trimethoxybenzoic acid 3-[4-(2-pyridyl)piperazino]propyl ester dihydrochloride Formula: C22H31Cl2N3O5 MolecularWeight: 488.40464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2CCN(CC2)C3=CC=CC=N3.Cl.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2CCN(CC2)C3=CC=CC=N3.Cl.Cl

InChI

InChI=1S/C22H29N3O5.2ClH/c1-27-18-15-17(16-19(28-2)21(18)29-3)22(26)30-14-6-9-24-10-12-25(13-11-24)20-7-4-5-8-23-20;;/h4-5,7-8,15-16H,6,9-14H2,1-3H3;2*1H