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

Systemtic Name: (E)-2-cyano-N-(4-methoxyphenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-enamide Openeye Name: (E)-3-(4-benzylpiperazin-4-ium-1-yl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(4-methoxyphenyl)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propenamide IUPAC Name: (E)-3-(4-benzylpiperazin-4-ium-1-yl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-benzylpiperazin-4-ium-1-yl)-2-cyano-N-(4-methoxyphenyl)acrylamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(=CN2CC[NH+](CC2)CC3=CC=CC=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)/C(=C/N2CC[NH+](CC2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H24N4O2/c1-28-21-9-7-20(8-10-21)24-22(27)19(15-23)17-26-13-11-25(12-14-26)16-18-5-3-2-4-6-18/h2-10,17H,11-14,16H2,1H3,(H,24,27)/p+1/b19-17+