1-(2-methylphenyl)-4-(3-nitropyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-(2-methylphenyl)-4-(3-nitropyridin-1-ium-2-yl)piperazine Openeye Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(o-tolyl)piperazine CAS Name: 1-(2-methylphenyl)-4-(3-nitro-2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(2-methylphenyl)-4-(3-nitropyridin-1-ium-2-yl)piperazine Traditional Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(o-tolyl)piperazine Formula: C16H19N4O2+ MolecularWeight: 299.34766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O2/c1-13-5-2-3-6-14(13)18-9-11-19(12-10-18)16-15(20(21)22)7-4-8-17-16/h2-8H,9-12H2,1H3/p+1