5-bromanyl-1-ethanoyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2,3-dihydroindole-7-sulfonamide

Systemtic Name: 5-bromanyl-1-ethanoyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2,3-dihydroindole-7-sulfonamide Openeye Name: 1-acetyl-N-(1-benzylpiperidin-1-ium-4-yl)-5-bromo-indoline-7-sulfonamide CAS Name: 1-acetyl-5-bromo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2,3-dihydroindole-7-sulfonamide IUPAC Name: 1-acetyl-N-(1-benzylpiperidin-1-ium-4-yl)-5-bromo-2,3-dihydroindole-7-sulfonamide Traditional Name: 1-acetyl-N-(1-benzylpiperidin-1-ium-4-yl)-5-bromo-indoline-7-sulfonamide Formula: C22H27BrN3O3S+ MolecularWeight: 493.43708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)Br

Isomeric SMILES

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)Br

InChI

InChI=1S/C22H26BrN3O3S/c1-16(27)26-12-7-18-13-19(23)14-21(22(18)26)30(28,29)24-20-8-10-25(11-9-20)15-17-5-3-2-4-6-17/h2-6,13-14,20,24H,7-12,15H2,1H3/p+1