4-bromanyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzenesulfonamide Openeye Name: 4-bromo-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzenesulfonamide CAS Name: 4-bromo-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzenesulfonamide Traditional Name: 4-bromo-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzenesulfonamide Formula: C18H22BrN2O2S+ MolecularWeight: 410.34848

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNS(=O)(=O)C1=CC=C(C=C1)Br)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@H](CNS(=O)(=O)C1=CC=C(C=C1)Br)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H21BrN2O2S/c1-14(21-11-10-15-4-2-3-5-16(15)13-21)12-20-24(22,23)18-8-6-17(19)7-9-18/h2-9,14,20H,10-13H2,1H3/p+1/t14-/m1/s1