4-methoxy-3-piperidin-1-ylcarbonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide

Systemtic Name: 4-methoxy-3-piperidin-1-ylcarbonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Openeye Name: 4-methoxy-3-(piperidine-1-carbonyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide CAS Name: 4-methoxy-3-[oxo(1-piperidinyl)methyl]-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzenesulfonamide IUPAC Name: 4-methoxy-3-(piperidine-1-carbonyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Traditional Name: 4-methoxy-3-(piperidine-1-carbonyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC[NH+]2CCCC2)C(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC[NH+]2CCCC2)C(=O)N3CCCCC3

InChI

InChI=1S/C20H31N3O4S/c1-27-19-9-8-17(16-18(19)20(24)23-14-3-2-4-15-23)28(25,26)21-10-7-13-22-11-5-6-12-22/h8-9,16,21H,2-7,10-15H2,1H3/p+1