(E)-2-cyano-N-ethanoyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-ethanoyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-enamide Openeye Name: (E)-N-acetyl-3-(4-benzylpiperazin-4-ium-1-yl)-2-cyano-prop-2-enamide CAS Name: (E)-N-acetyl-2-cyano-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propenamide IUPAC Name: (E)-N-acetyl-3-(4-benzylpiperazin-4-ium-1-yl)-2-cyanoprop-2-enamide Traditional Name: (E)-N-acetyl-3-(4-benzylpiperazin-4-ium-1-yl)-2-cyano-acrylamide Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=O)C(=CN1CC[NH+](CC1)CC2=CC=CC=C2)C#N

Isomeric SMILES

CC(=O)NC(=O)/C(=C/N1CC[NH+](CC1)CC2=CC=CC=C2)/C#N

InChI

InChI=1S/C17H20N4O2/c1-14(22)19-17(23)16(11-18)13-21-9-7-20(8-10-21)12-15-5-3-2-4-6-15/h2-6,13H,7-10,12H2,1H3,(H,19,22,23)/p+1/b16-13+