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

Systemtic Name: 4-chloranyl-N-[2-methyl-1-[4-(phenylmethyl)piperidin-1-ium-1-yl]propan-2-yl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperidin-1-ium-1-yl)-1,1-dimethyl-ethyl]-4-chloro-benzenesulfonamide CAS Name: 4-chloro-N-[2-methyl-1-[4-(phenylmethyl)-1-piperidin-1-iumyl]propan-2-yl]benzenesulfonamide IUPAC Name: N-[1-(4-benzylpiperidin-1-ium-1-yl)-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperidin-1-ium-1-yl)-1,1-dimethyl-ethyl]-4-chloro-benzenesulfonamide Formula: C22H30ClN2O2S+ MolecularWeight: 422.0038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCC(CC1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C[NH+]1CCC(CC1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H29ClN2O2S/c1-22(2,24-28(26,27)21-10-8-20(23)9-11-21)17-25-14-12-19(13-15-25)16-18-6-4-3-5-7-18/h3-11,19,24H,12-17H2,1-2H3/p+1