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

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-propan-2-yl-benzenesulfonamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-isopropyl-benzenesulfonamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-propan-2-ylbenzenesulfonamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-propan-2-ylbenzenesulfonamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-isopropyl-benzenesulfonamide Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2S/c1-17(2)19-8-10-21(11-9-19)26(24,25)22-20-12-14-23(15-13-20)16-18-6-4-3-5-7-18/h3-11,17,20,22H,12-16H2,1-2H3/p+1