1-(4-methoxy-3-nitro-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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