1-methyl-4-[4-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-(1-oxidopyridin-1-ium-3-carbonyl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-(1-oxidopyridin-1-ium-3-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-(1-oxidopyridin-1-ium-3-carbonyl)piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C16H19N5O5S MolecularWeight: 393.41756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C16H19N5O5S/c1-18-11-13(9-14(18)15(17)22)27(25,26)21-7-5-19(6-8-21)16(23)12-3-2-4-20(24)10-12/h2-4,9-11H,5-8H2,1H3,(H2,17,22)