N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-3,4-dimethoxy-benzenesulfonamide Formula: C19H31N2O4S+ MolecularWeight: 383.52544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)C3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)C3CCCC3)OC

InChI

InChI=1S/C19H30N2O4S/c1-24-18-8-7-17(13-19(18)25-2)26(22,23)20-14-15-9-11-21(12-10-15)16-5-3-4-6-16/h7-8,13,15-16,20H,3-6,9-12,14H2,1-2H3/p+1