N-[1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperidin-1-ium-4-yl]thiophene-2-sulfonamide

Systemtic Name: N-[1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperidin-1-ium-4-yl]thiophene-2-sulfonamide Openeye Name: N-[1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]piperidin-1-ium-4-yl]thiophene-2-sulfonamide CAS Name: N-[1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-2-thiophenesulfonamide IUPAC Name: N-[1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]thiophene-2-sulfonamide Traditional Name: N-[1-(2-bromo-4,5-dimethoxy-benzyl)piperidin-1-ium-4-yl]thiophene-2-sulfonamide Formula: C18H24BrN2O4S2+ MolecularWeight: 476.42816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CS3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CS3)Br)OC

InChI

InChI=1S/C18H23BrN2O4S2/c1-24-16-10-13(15(19)11-17(16)25-2)12-21-7-5-14(6-8-21)20-27(22,23)18-4-3-9-26-18/h3-4,9-11,14,20H,5-8,12H2,1-2H3/p+1