1-(2-methoxy-5-nitro-phenyl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]methanimine

Systemtic Name: 1-(2-methoxy-5-nitro-phenyl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]methanimine Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1-(2-methoxy-5-nitro-phenyl)methanimine CAS Name: 1-(2-methoxy-5-nitrophenyl)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]methanimine IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1-(2-methoxy-5-nitrophenyl)methanimine Traditional Name: [4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-(2-methoxy-5-nitro-benzylidene)amine Formula: C25H27N4O3+ MolecularWeight: 431.50688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O3/c1-32-25-12-11-24(29(30)31)17-21(25)18-26-22-7-9-23(10-8-22)28-15-13-27(14-16-28)19-20-5-3-2-4-6-20/h2-12,17-18H,13-16,19H2,1H3/p+1