4-(2-methylpropyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzenesulfonamide

Systemtic Name: 4-(2-methylpropyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzenesulfonamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-isobutyl-benzenesulfonamide CAS Name: 4-(2-methylpropyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzenesulfonamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(2-methylpropyl)benzenesulfonamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-isobutyl-benzenesulfonamide Formula: C22H31N2O2S+ MolecularWeight: 387.55874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O2S/c1-18(2)16-19-8-10-22(11-9-19)27(25,26)23-21-12-14-24(15-13-21)17-20-6-4-3-5-7-20/h3-11,18,21,23H,12-17H2,1-2H3/p+1