N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-(3-nitrophenyl)methanimine

Systemtic Name: N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-(3-nitrophenyl)methanimine Openeye Name: N-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-1-(3-nitrophenyl)methanimine CAS Name: N-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-1-(3-nitrophenyl)methanimine IUPAC Name: N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-(3-nitrophenyl)methanimine Traditional Name: (Z)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-(3-nitrobenzylidene)amine Formula: C22H23N4O2+ MolecularWeight: 375.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)N=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)/N=C\C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O2/c27-26(28)21-9-3-5-18(15-21)16-23-25-13-11-24(12-14-25)17-20-8-4-7-19-6-1-2-10-22(19)20/h1-10,15-16H,11-14,17H2/p+1/b23-16-