N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-(2-nitrophenyl)methanimine

Systemtic Name: N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-(2-nitrophenyl)methanimine Openeye Name: N-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-1-(2-nitrophenyl)methanimine CAS Name: N-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-1-(2-nitrophenyl)methanimine IUPAC Name: N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-(2-nitrophenyl)methanimine Traditional Name: (Z)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-(2-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)22-11-4-2-7-19(22)16-23-25-14-12-24(13-15-25)17-20-9-5-8-18-6-1-3-10-21(18)20/h1-11,16H,12-15,17H2/p+1/b23-16-