1-methyl-4-[4-[2-(1-methylpyrrol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[2-(1-methylpyrrol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[2-(1-methylpyrrol-3-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[2-(1-methyl-3-pyrrolyl)-2-oxoethyl]-1-piperazin-4-iumyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]piperazin-4-ium-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 4-[4-[2-keto-2-(1-methylpyrrol-3-yl)ethyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C17H24N5O4S+ MolecularWeight: 394.46856

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CN1C=CC(=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C17H23N5O4S/c1-19-4-3-13(10-19)16(23)12-21-5-7-22(8-6-21)27(25,26)14-9-15(17(18)24)20(2)11-14/h3-4,9-11H,5-8,12H2,1-2H3,(H2,18,24)/p+1