3-methyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one

Systemtic Name: 3-methyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one Openeye Name: 3-methyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one CAS Name: 3-methyl-6-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]-1,3-benzoxazol-2-one IUPAC Name: 3-methyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one Traditional Name: 3-methyl-6-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-1,3-benzoxazol-2-one Formula: C17H19N4O4S+ MolecularWeight: 375.42216

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)OC1=O

InChI

InChI=1S/C17H18N4O4S/c1-19-14-6-5-13(12-15(14)25-17(19)22)26(23,24)21-10-8-20(9-11-21)16-4-2-3-7-18-16/h2-7,12H,8-11H2,1H3/p+1