1-(2-chloranyl-5-nitro-phenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(2-chloro-5-nitro-phenyl)-N-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]methanimine CAS Name: 1-(2-chloro-5-nitrophenyl)-N-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(2-chloro-5-nitrophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Traditional Name: (Z)-(2-chloro-5-nitro-benzylidene)-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]amine Formula: C19H22ClN4O2+ MolecularWeight: 373.85658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O2/c1-15-2-4-16(5-3-15)14-22-8-10-23(11-9-22)21-13-17-12-18(24(25)26)6-7-19(17)20/h2-7,12-13H,8-11,14H2,1H3/p+1/b21-13-