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

Systemtic Name: 4-methylsulfonyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]benzamide Openeye Name: 4-methylsulfonyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]benzamide CAS Name: 4-methylsulfonyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]benzamide IUPAC Name: 4-methylsulfonyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]benzamide Traditional Name: 4-mesyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]benzamide Formula: C21H27N2O3S+ MolecularWeight: 387.51568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-3-19(23-13-12-16-6-4-5-7-18(16)15-23)14-22-21(24)17-8-10-20(11-9-17)27(2,25)26/h4-11,19H,3,12-15H2,1-2H3,(H,22,24)/p+1/t19-/m1/s1