1-(3-nitrophenyl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanimine

Systemtic Name: 1-(3-nitrophenyl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanimine Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-nitrophenyl)ethanimine CAS Name: 1-(3-nitrophenyl)-N-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanimine IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-nitrophenyl)ethanimine Traditional Name: (E)-(4-benzylpiperazin-4-ium-1-yl)-[1-(3-nitrophenyl)ethylidene]amine Formula: C19H23N4O2+ MolecularWeight: 339.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN1CC[NH+](CC1)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\N1CC[NH+](CC1)CC2=CC=CC=C2)/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O2/c1-16(18-8-5-9-19(14-18)23(24)25)20-22-12-10-21(11-13-22)15-17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3/p+1/b20-16+