4-[2,5-dimethyl-3-[2-(4-methylpiperidin-1-ium-1-yl)ethanoyl]pyrrol-1-yl]benzenesulfonamide

Systemtic Name: 4-[2,5-dimethyl-3-[2-(4-methylpiperidin-1-ium-1-yl)ethanoyl]pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[2,5-dimethyl-3-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[2,5-dimethyl-3-[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[2,5-dimethyl-3-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]pyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[2,5-dimethyl-3-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]pyrrol-1-yl]benzenesulfonamide Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C20H27N3O3S/c1-14-8-10-22(11-9-14)13-20(24)19-12-15(2)23(16(19)3)17-4-6-18(7-5-17)27(21,25)26/h4-7,12,14H,8-11,13H2,1-3H3,(H2,21,25,26)/p+1