N-[1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperidin-1-ium-4-yl]-4-propan-2-yl-benzenesulfonamide

Systemtic Name: N-[1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperidin-1-ium-4-yl]-4-propan-2-yl-benzenesulfonamide Openeye Name: 4-isopropyl-N-[1-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperidin-1-ium-4-yl]benzenesulfonamide CAS Name: N-[1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-piperidin-1-iumyl]-4-propan-2-ylbenzenesulfonamide IUPAC Name: N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-ium-4-yl]-4-propan-2-ylbenzenesulfonamide Traditional Name: 4-isopropyl-N-[1-(2-keto-2-pyrrolidino-ethyl)piperidin-1-ium-4-yl]benzenesulfonamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C20H31N3O3S/c1-16(2)17-5-7-19(8-6-17)27(25,26)21-18-9-13-22(14-10-18)15-20(24)23-11-3-4-12-23/h5-8,16,18,21H,3-4,9-15H2,1-2H3/p+1