2-bromanyl-4,5-dimethoxy-N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]benzenesulfonamide

Systemtic Name: 2-bromanyl-4,5-dimethoxy-N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]benzenesulfonamide Openeye Name: 2-bromo-4,5-dimethoxy-N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]benzenesulfonamide CAS Name: 2-bromo-4,5-dimethoxy-N-[[4-[(4-methyl-1-piperidin-1-iumyl)methyl]phenyl]methyl]benzenesulfonamide IUPAC Name: 2-bromo-4,5-dimethoxy-N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]benzenesulfonamide Traditional Name: 2-bromo-4,5-dimethoxy-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzyl]benzenesulfonamide Formula: C22H30BrN2O4S+ MolecularWeight: 498.4536

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNS(=O)(=O)C3=C(C=C(C(=C3)OC)OC)Br

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNS(=O)(=O)C3=C(C=C(C(=C3)OC)OC)Br

InChI

InChI=1S/C22H29BrN2O4S/c1-16-8-10-25(11-9-16)15-18-6-4-17(5-7-18)14-24-30(26,27)22-13-21(29-3)20(28-2)12-19(22)23/h4-7,12-13,16,24H,8-11,14-15H2,1-3H3/p+1