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

Systemtic Name: N-[(2R)-3,3-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butan-2-yl]benzenesulfonamide Openeye Name: N-[(1R)-2,2-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)propyl]benzenesulfonamide CAS Name: N-[(2R)-3,3-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butan-2-yl]benzenesulfonamide IUPAC Name: N-[(2R)-3,3-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butan-2-yl]benzenesulfonamide Traditional Name: N-[(1R)-2,2-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)propyl]benzenesulfonamide Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C[NH+]1CCC2=CC=CC=C2C1)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)[C@H](C[NH+]1CCC2=CC=CC=C2C1)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O2S/c1-21(2,3)20(22-26(24,25)19-11-5-4-6-12-19)16-23-14-13-17-9-7-8-10-18(17)15-23/h4-12,20,22H,13-16H2,1-3H3/p+1/t20-/m0/s1