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

Systemtic Name: 1-methyl-N-(4-piperazin-1-ylphenyl)piperidine-4-carboxamide ethanoate Openeye Name: 1-methyl-N-(4-piperazin-1-ylphenyl)piperidine-4-carboxamide acetate CAS Name: 1-methyl-N-[4-(1-piperazinyl)phenyl]-4-piperidinecarboxamide acetate IUPAC Name: 1-methyl-N-(4-piperazin-1-ylphenyl)piperidine-4-carboxamide acetate Traditional Name: 1-methyl-N-(4-piperazinophenyl)isonipecotamide acetate Formula: C19H29N4O3- MolecularWeight: 361.45856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CN1CCC(CC1)C(=O)NC2=CC=C(C=C2)N3CCNCC3

Isomeric SMILES

CC(=O)[O-].CN1CCC(CC1)C(=O)NC2=CC=C(C=C2)N3CCNCC3

InChI

InChI=1S/C17H26N4O.C2H4O2/c1-20-10-6-14(7-11-20)17(22)19-15-2-4-16(5-3-15)21-12-8-18-9-13-21;1-2(3)4/h2-5,14,18H,6-13H2,1H3,(H,19,22);1H3,(H,3,4)/p-1