1-(4-nitrophenyl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]methanimine

Systemtic Name: 1-(4-nitrophenyl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]methanimine Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1-(4-nitrophenyl)methanimine CAS Name: 1-(4-nitrophenyl)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]methanimine IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1-(4-nitrophenyl)methanimine Traditional Name: [4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-(4-nitrobenzylidene)amine Formula: C24H25N4O2+ MolecularWeight: 401.4809

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O2/c29-28(30)24-10-6-20(7-11-24)18-25-22-8-12-23(13-9-22)27-16-14-26(15-17-27)19-21-4-2-1-3-5-21/h1-13,18H,14-17,19H2/p+1