4-(2-oxidanylidenepyrrolidin-1-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzenesulfonamide

Systemtic Name: 4-(2-oxidanylidenepyrrolidin-1-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzenesulfonamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide CAS Name: 4-(2-oxo-1-pyrrolidinyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzenesulfonamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(2-ketopyrrolidino)benzenesulfonamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S/c26-22-7-4-14-25(22)20-8-10-21(11-9-20)29(27,28)23-19-12-15-24(16-13-19)17-18-5-2-1-3-6-18/h1-3,5-6,8-11,19,23H,4,7,12-17H2/p+1