methyl 1-[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]ethyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[1-(4-carbamimidoylphenyl)-4-piperidyl]ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[1-(4-carbamimidoylphenyl)-4-piperidinyl]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]ethyl]piperidine-4-carboxylate Traditional Name: 1-[2-[1-(4-amidinophenyl)-4-piperidyl]ethyl]isonipecotic acid methyl ester Formula: C21H32N4O2 MolecularWeight: 372.50438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CCC2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)C1CCN(CC1)CCC2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H32N4O2/c1-27-21(26)18-9-12-24(13-10-18)11-6-16-7-14-25(15-8-16)19-4-2-17(3-5-19)20(22)23/h2-5,16,18H,6-15H2,1H3,(H3,22,23)