1-(5-chloranyl-2-methyl-phenyl)-4-(3-nitropyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-(3-nitropyridin-1-ium-2-yl)piperazine Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-(3-nitropyridin-1-ium-2-yl)piperazine CAS Name: 1-(5-chloro-2-methylphenyl)-4-(3-nitro-2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-(3-nitropyridin-1-ium-2-yl)piperazine Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-(3-nitropyridin-1-ium-2-yl)piperazine Formula: C16H18ClN4O2+ MolecularWeight: 333.79272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN4O2/c1-12-4-5-13(17)11-15(12)19-7-9-20(10-8-19)16-14(21(22)23)3-2-6-18-16/h2-6,11H,7-10H2,1H3/p+1