3-bromanyl-4-methoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide

Systemtic Name: 3-bromanyl-4-methoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide Openeye Name: 3-bromo-4-methoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide CAS Name: 3-bromo-4-methoxy-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)benzenesulfonamide IUPAC Name: 3-bromo-4-methoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide Traditional Name: 3-bromo-4-methoxy-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide Formula: C14H22BrN2O3S+ MolecularWeight: 378.30508

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)S(=O)(=O)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)S(=O)(=O)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C14H21BrN2O3S/c1-16-8-6-11(7-9-16)17(2)21(18,19)12-4-5-14(20-3)13(15)10-12/h4-5,10-11H,6-9H2,1-3H3/p+1