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

Systemtic Name: 5-bromanyl-1-ethanoyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-2,3-dihydroindole-7-sulfonamide Openeye Name: 1-acetyl-5-bromo-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]indoline-7-sulfonamide CAS Name: 1-acetyl-5-bromo-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-2,3-dihydroindole-7-sulfonamide IUPAC Name: 1-acetyl-5-bromo-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-2,3-dihydroindole-7-sulfonamide Traditional Name: 1-acetyl-5-bromo-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]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)NCCC[NH+]3CCC4=CC=CC=C4C3)Br

Isomeric SMILES

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)NCCC[NH+]3CCC4=CC=CC=C4C3)Br

InChI

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