(E)-3-(2-nitrophenyl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-imine

Systemtic Name: (E)-3-(2-nitrophenyl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-imine Openeye Name: (E)-N-(4-benzylpiperazin-4-ium-1-yl)-3-(2-nitrophenyl)prop-2-en-1-imine CAS Name: (E)-3-(2-nitrophenyl)-N-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-imine IUPAC Name: (E)-N-(4-benzylpiperazin-4-ium-1-yl)-3-(2-nitrophenyl)prop-2-en-1-imine Traditional Name: (Z)-(4-benzylpiperazin-4-ium-1-yl)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amine Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)N=CC=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2/c25-24(26)20-11-5-4-9-19(20)10-6-12-21-23-15-13-22(14-16-23)17-18-7-2-1-3-8-18/h1-12H,13-17H2/p+1/b10-6+,21-12-