N-(3-methylbutyl)-4-(piperidin-1-ium-4-ylmethyl)benzenesulfonamide

Systemtic Name: N-(3-methylbutyl)-4-(piperidin-1-ium-4-ylmethyl)benzenesulfonamide Openeye Name: N-isopentyl-4-(piperidin-1-ium-4-ylmethyl)benzenesulfonamide CAS Name: N-(3-methylbutyl)-4-(4-piperidin-1-iumylmethyl)benzenesulfonamide IUPAC Name: N-(3-methylbutyl)-4-(piperidin-1-ium-4-ylmethyl)benzenesulfonamide Traditional Name: N-isoamyl-4-(piperidin-1-ium-4-ylmethyl)benzenesulfonamide Formula: C17H29N2O2S+ MolecularWeight: 325.48936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNS(=O)(=O)C1=CC=C(C=C1)CC2CC[NH2+]CC2

Isomeric SMILES

CC(C)CCNS(=O)(=O)C1=CC=C(C=C1)CC2CC[NH2+]CC2

InChI

InChI=1S/C17H28N2O2S/c1-14(2)7-12-19-22(20,21)17-5-3-15(4-6-17)13-16-8-10-18-11-9-16/h3-6,14,16,18-19H,7-13H2,1-2H3/p+1