3-methylsulfonyl-N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]benzamide

Systemtic Name: 3-methylsulfonyl-N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]benzamide Openeye Name: 3-methylsulfonyl-N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]benzamide CAS Name: 3-methylsulfonyl-N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]benzamide IUPAC Name: 3-methylsulfonyl-N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]benzamide Traditional Name: 3-mesyl-N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]benzamide Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)C)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-16(2)21(24-12-11-17-7-4-5-8-19(17)15-24)14-23-22(25)18-9-6-10-20(13-18)28(3,26)27/h4-10,13,16,21H,11-12,14-15H2,1-3H3,(H,23,25)/p+1/t21-/m0/s1