1-(2,4-dimethylphenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-(2,4-dimethylphenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine Openeye Name: 1-(2,4-dimethylphenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine CAS Name: 1-(2,4-dimethylphenyl)-4-(5-nitro-2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(2,4-dimethylphenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine Traditional Name: 1-(2,4-dimethylphenyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2/c1-13-3-5-16(14(2)11-13)19-7-9-20(10-8-19)17-6-4-15(12-18-17)21(22)23/h3-6,11-12H,7-10H2,1-2H3/p+1