N-(4-piperazin-1-ylphenyl)piperidine-4-carboxamide ethanoate

Systemtic Name: N-(4-piperazin-1-ylphenyl)piperidine-4-carboxamide ethanoate Openeye Name: N-(4-piperazin-1-ylphenyl)piperidine-4-carboxamide acetate CAS Name: N-[4-(1-piperazinyl)phenyl]-4-piperidinecarboxamide acetate IUPAC Name: N-(4-piperazin-1-ylphenyl)piperidine-4-carboxamide acetate Traditional Name: N-(4-piperazinophenyl)isonipecotamide acetate Formula: C18H27N4O3- MolecularWeight: 347.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1CNCCC1C(=O)NC2=CC=C(C=C2)N3CCNCC3

Isomeric SMILES

CC(=O)[O-].C1CNCCC1C(=O)NC2=CC=C(C=C2)N3CCNCC3

InChI

InChI=1S/C16H24N4O.C2H4O2/c21-16(13-5-7-17-8-6-13)19-14-1-3-15(4-2-14)20-11-9-18-10-12-20;1-2(3)4/h1-4,13,17-18H,5-12H2,(H,19,21);1H3,(H,3,4)/p-1