4-chloranyl-2,5-dimethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-2,5-dimethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzenesulfonamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-chloro-2,5-dimethyl-benzenesulfonamide CAS Name: 4-chloro-2,5-dimethyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzenesulfonamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-chloro-2,5-dimethylbenzenesulfonamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-chloro-2,5-dimethyl-benzenesulfonamide Formula: C20H26ClN2O2S+ MolecularWeight: 393.95064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25ClN2O2S/c1-15-13-20(16(2)12-19(15)21)26(24,25)22-18-8-10-23(11-9-18)14-17-6-4-3-5-7-17/h3-7,12-13,18,22H,8-11,14H2,1-2H3/p+1