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

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-4-(5-nitropyridin-1-ium-2-yl)piperazine Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-4-(5-nitropyridin-1-ium-2-yl)piperazine CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-(5-nitro-2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-4-(5-nitropyridin-1-ium-2-yl)piperazine Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-4-(5-nitropyridin-1-ium-2-yl)piperazine Formula: C17H21N4O4S+ MolecularWeight: 377.43804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S/c1-13-3-4-14(2)16(11-13)26(24,25)20-9-7-19(8-10-20)17-6-5-15(12-18-17)21(22)23/h3-6,11-12H,7-10H2,1-2H3/p+1