N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(3-nitrophenyl)methanimine

Systemtic Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(3-nitrophenyl)methanimine Openeye Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(3-nitrophenyl)methanimine CAS Name: N-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-1-(3-nitrophenyl)methanimine IUPAC Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(3-nitrophenyl)methanimine Traditional Name: (E)-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]-(3-nitrobenzylidene)amine Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)N=CC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)/N=C/C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H24N4O2/c1-16-6-7-19(17(2)12-16)15-22-8-10-23(11-9-22)21-14-18-4-3-5-20(13-18)24(25)26/h3-7,12-14H,8-11,15H2,1-2H3/p+1/b21-14+