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

Systemtic Name: (E)-2-cyano-N-[(4-methoxyphenyl)methyl]-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)methyl]prop-2-enamide CAS Name: (E)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propenamide IUPAC Name: (E)-3-(4-benzylpiperazin-4-ium-1-yl)-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide Traditional Name: (E)-3-(4-benzylpiperazin-4-ium-1-yl)-2-cyano-N-p-anisyl-acrylamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2/c1-29-22-9-7-19(8-10-22)16-25-23(28)21(15-24)18-27-13-11-26(12-14-27)17-20-5-3-2-4-6-20/h2-10,18H,11-14,16-17H2,1H3,(H,25,28)/p+1/b21-18+