N-(4-methylphenyl)-1-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methanimine

Systemtic Name: N-(4-methylphenyl)-1-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methanimine Openeye Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-N-(p-tolyl)methanimine CAS Name: N-(4-methylphenyl)-1-[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]methanimine IUPAC Name: N-(4-methylphenyl)-1-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]methanimine Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzylidene]-(p-tolyl)amine Formula: C19H23N4O2+ MolecularWeight: 339.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=CC2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N=CC2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O2/c1-15-3-6-17(7-4-15)20-14-16-5-8-18(19(13-16)23(24)25)22-11-9-21(2)10-12-22/h3-8,13-14H,9-12H2,1-2H3/p+1