3,4-dimethyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide

Systemtic Name: 3,4-dimethyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Openeye Name: 3,4-dimethyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide CAS Name: 3,4-dimethyl-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzenesulfonamide IUPAC Name: 3,4-dimethyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Traditional Name: 3,4-dimethyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Formula: C15H25N2O2S+ MolecularWeight: 297.4362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC[NH+]2CCCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC[NH+]2CCCC2)C

InChI

InChI=1S/C15H24N2O2S/c1-13-6-7-15(12-14(13)2)20(18,19)16-8-5-11-17-9-3-4-10-17/h6-7,12,16H,3-5,8-11H2,1-2H3/p+1