N-[[(1R)-2-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[[(1R)-2-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[[(1R)-2-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-methyl-benzenesulfonamide CAS Name: N-[[(1R)-2-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-methylbenzenesulfonamide IUPAC Name: N-[[(1R)-2-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-methylbenzenesulfonamide Traditional Name: N-[[(1R)-2-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-methyl-benzenesulfonamide Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=CC(=C(C=C2C1CNS(=O)(=O)C3=CC=C(C=C3)C)OC)OC

Isomeric SMILES

CC[NH+]1CCC2=CC(=C(C=C2[C@@H]1CNS(=O)(=O)C3=CC=C(C=C3)C)OC)OC

InChI

InChI=1S/C21H28N2O4S/c1-5-23-11-10-16-12-20(26-3)21(27-4)13-18(16)19(23)14-22-28(24,25)17-8-6-15(2)7-9-17/h6-9,12-13,19,22H,5,10-11,14H2,1-4H3/p+1/t19-/m0/s1