ethyl 1-[2-(4-methylpiperazin-1-yl)-2-phenyl-ethyl]-4-phenyl-piperidine-4-carboxylate trihydrochloride

Systemtic Name: ethyl 1-[2-(4-methylpiperazin-1-yl)-2-phenyl-ethyl]-4-phenyl-piperidine-4-carboxylate trihydrochloride Openeye Name: ethyl 1-[2-(4-methylpiperazin-1-yl)-2-phenyl-ethyl]-4-phenyl-piperidine-4-carboxylate trihydrochloride CAS Name: 1-[2-(4-methyl-1-piperazinyl)-2-phenylethyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester trihydrochloride IUPAC Name: ethyl 1-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate trihydrochloride Traditional Name: 1-[2-(4-methylpiperazino)-2-phenyl-ethyl]-4-phenyl-isonipecotic acid ethyl ester trihydrochloride Formula: C27H40Cl3N3O2 MolecularWeight: 544.9844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC(C2=CC=CC=C2)N3CCN(CC3)C)C4=CC=CC=C4.Cl.Cl.Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC(C2=CC=CC=C2)N3CCN(CC3)C)C4=CC=CC=C4.Cl.Cl.Cl

InChI

InChI=1S/C27H37N3O2.3ClH/c1-3-32-26(31)27(24-12-8-5-9-13-24)14-16-29(17-15-27)22-25(23-10-6-4-7-11-23)30-20-18-28(2)19-21-30;;;/h4-13,25H,3,14-22H2,1-2H3;3*1H