ethyl 1-[2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(4-benzylpiperazin-1-ium-1-yl)methyl]phenyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-benzylpiperazin-1-ium-1-yl)methyl]phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-benzylpiperazin-1-ium-1-yl)methyl]phenyl]isonipecotic acid ethyl ester Formula: C26H36N3O2+ MolecularWeight: 422.58294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC=CC=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC=CC=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H35N3O2/c1-2-31-26(30)23-12-14-29(15-13-23)25-11-7-6-10-24(25)21-28-18-16-27(17-19-28)20-22-8-4-3-5-9-22/h3-11,23H,2,12-21H2,1H3/p+1