4-[3-(3-methylpiperidin-1-ium-1-yl)prop-1-ynyl]benzenesulfonamide chloride

Systemtic Name: 4-[3-(3-methylpiperidin-1-ium-1-yl)prop-1-ynyl]benzenesulfonamide chloride Openeye Name: 4-[3-(3-methylpiperidin-1-ium-1-yl)prop-1-ynyl]benzenesulfonamide chloride CAS Name: 4-[3-(3-methyl-1-piperidin-1-iumyl)prop-1-ynyl]benzenesulfonamide chloride IUPAC Name: 4-[3-(3-methylpiperidin-1-ium-1-yl)prop-1-ynyl]benzenesulfonamide chloride Traditional Name: 4-[3-(3-methylpiperidin-1-ium-1-yl)prop-1-ynyl]benzenesulfonamide chloride Formula: C15H21ClN2O2S MolecularWeight: 328.85744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC#CC2=CC=C(C=C2)S(=O)(=O)N.[Cl-]

Isomeric SMILES

CC1CCC[NH+](C1)CC#CC2=CC=C(C=C2)S(=O)(=O)N.[Cl-]

InChI

InChI=1S/C15H20N2O2S.ClH/c1-13-4-2-10-17(12-13)11-3-5-14-6-8-15(9-7-14)20(16,18)19;/h6-9,13H,2,4,10-12H2,1H3,(H2,16,18,19);1H