N-(2-ethanoylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethanoylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-acetylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2-acetylphenyl)-2-[4-[(1-methyl-3-pyrrolyl)sulfonyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-acetylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-acetylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CN(C=C3)C

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CN(C=C3)C

InChI

InChI=1S/C19H24N4O4S/c1-15(24)17-5-3-4-6-18(17)20-19(25)14-22-9-11-23(12-10-22)28(26,27)16-7-8-21(2)13-16/h3-8,13H,9-12,14H2,1-2H3,(H,20,25)/p+1