N-(1-methylpiperidin-1-ium-4-yl)-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide

Systemtic Name: N-(1-methylpiperidin-1-ium-4-yl)-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide Openeye Name: N-(1-methylpiperidin-1-ium-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide CAS Name: N-(1-methyl-4-piperidin-1-iumyl)-4-(2-oxo-1-pyrrolidinyl)benzenesulfonamide IUPAC Name: N-(1-methylpiperidin-1-ium-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide Traditional Name: 4-(2-ketopyrrolidino)-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

C[NH+]1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C16H23N3O3S/c1-18-11-8-13(9-12-18)17-23(21,22)15-6-4-14(5-7-15)19-10-2-3-16(19)20/h4-7,13,17H,2-3,8-12H2,1H3/p+1