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

Systemtic Name: (E)-2-cyano-N-phenethyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-enamide Openeye Name: (E)-3-(4-benzylpiperazin-4-ium-1-yl)-2-cyano-N-phenethyl-prop-2-enamide CAS Name: (E)-2-cyano-N-phenethyl-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propenamide IUPAC Name: (E)-3-(4-benzylpiperazin-4-ium-1-yl)-2-cyano-N-phenethylprop-2-enamide Traditional Name: (E)-3-(4-benzylpiperazin-4-ium-1-yl)-2-cyano-N-phenethyl-acrylamide Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C=C(C#N)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)/C=C(\C#N)/C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H26N4O/c24-17-22(23(28)25-12-11-20-7-3-1-4-8-20)19-27-15-13-26(14-16-27)18-21-9-5-2-6-10-21/h1-10,19H,11-16,18H2,(H,25,28)/p+1/b22-19+