2-[4-[4-(4-cyanophenyl)-3-oxidanylidene-piperazin-1-yl]-1-methyl-piperidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-[4-(4-cyanophenyl)-3-oxidanylidene-piperazin-1-yl]-1-methyl-piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[4-(4-cyanophenyl)-3-oxo-piperazin-1-yl]-1-methyl-piperidin-1-ium-1-yl]acetate CAS Name: 2-[4-[4-(4-cyanophenyl)-3-oxo-1-piperazinyl]-1-methyl-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[4-[4-(4-cyanophenyl)-3-oxopiperazin-1-yl]-1-methylpiperidin-1-ium-1-yl]acetate Traditional Name: 2-[4-[4-(4-cyanophenyl)-3-keto-piperazino]-1-methyl-piperidin-1-ium-1-yl]acetate Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)N2CCN(C(=O)C2)C3=CC=C(C=C3)C#N)CC(=O)[O-]

Isomeric SMILES

C[N+]1(CCC(CC1)N2CCN(C(=O)C2)C3=CC=C(C=C3)C#N)CC(=O)[O-]

InChI

InChI=1S/C19H24N4O3/c1-23(14-19(25)26)10-6-16(7-11-23)21-8-9-22(18(24)13-21)17-4-2-15(12-20)3-5-17/h2-5,16H,6-11,13-14H2,1H3