1-(4-methoxyphenyl)sulfonyl-4-(3-nitropyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-4-(3-nitropyridin-1-ium-2-yl)piperazine Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-(3-nitropyridin-1-ium-2-yl)piperazine CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-(3-nitro-2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-(3-nitropyridin-1-ium-2-yl)piperazine Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-(3-nitropyridin-1-ium-2-yl)piperazine Formula: C16H19N4O5S+ MolecularWeight: 379.41086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5S/c1-25-13-4-6-14(7-5-13)26(23,24)19-11-9-18(10-12-19)16-15(20(21)22)3-2-8-17-16/h2-8H,9-12H2,1H3/p+1