5-bromanyl-2-methoxy-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzenesulfonamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzenesulfonamide Openeye Name: 5-bromo-2-methoxy-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzenesulfonamide CAS Name: 5-bromo-2-methoxy-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]benzenesulfonamide IUPAC Name: 5-bromo-2-methoxy-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzenesulfonamide Traditional Name: 5-bromo-2-methoxy-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzenesulfonamide Formula: C16H26BrN2O3S+ MolecularWeight: 406.35824

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNS(=O)(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC1CC[NH+](CC1)CCCNS(=O)(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C16H25BrN2O3S/c1-13-6-10-19(11-7-13)9-3-8-18-23(20,21)16-12-14(17)4-5-15(16)22-2/h4-5,12-13,18H,3,6-11H2,1-2H3/p+1