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

Systemtic Name: 2-[4-[4-(4-cyanophenyl)-3-oxidanylidene-piperazin-1-yl]-1-methyl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[4-[4-(4-cyanophenyl)-3-oxo-piperazin-1-yl]-1-methyl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[4-[4-(4-cyanophenyl)-3-oxo-1-piperazinyl]-1-methyl-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[4-[4-(4-cyanophenyl)-3-oxopiperazin-1-yl]-1-methylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[4-[4-(4-cyanophenyl)-3-keto-piperazino]-1-methyl-piperidin-1-ium-1-yl]acetic acid Formula: C19H25N4O3+ MolecularWeight: 357.4268

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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/p+1