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

Systemtic Name: 2-[4-[4-(4-cyanophenyl)-3-oxidanylidene-piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[4-[4-(4-cyanophenyl)-3-oxo-piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[4-[4-(4-cyanophenyl)-3-oxo-1-piperazinyl]-1-ethyl-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[4-[4-(4-cyanophenyl)-3-oxopiperazin-1-yl]-1-ethylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[4-[4-(4-cyanophenyl)-3-keto-piperazino]-1-ethyl-piperidin-1-ium-1-yl]acetic acid Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3/c1-2-24(15-20(26)27)11-7-17(8-12-24)22-9-10-23(19(25)14-22)18-5-3-16(13-21)4-6-18/h3-6,17H,2,7-12,14-15H2,1H3/p+1