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

Systemtic Name: N-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]thiophene-2-sulfonamide Openeye Name: N-[1-[(5-bromo-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]thiophene-2-sulfonamide CAS Name: N-[1-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-2-thiophenesulfonamide IUPAC Name: N-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]thiophene-2-sulfonamide Traditional Name: N-[1-(5-bromo-2-methoxy-benzyl)piperidin-1-ium-4-yl]thiophene-2-sulfonamide Formula: C17H22BrN2O3S2+ MolecularWeight: 446.40218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O3S2/c1-23-16-5-4-14(18)11-13(16)12-20-8-6-15(7-9-20)19-25(21,22)17-3-2-10-24-17/h2-5,10-11,15,19H,6-9,12H2,1H3/p+1