ethyl 1-[2-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]phenyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]phenyl]isonipecotic acid ethyl ester Formula: C26H37N3O2+2 MolecularWeight: 423.59088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC=CC=C2C[NH+]3CC[NH+](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+2