(2R)-N-(4-sulfamoylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: (2R)-N-(4-sulfamoylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: (2R)-N-(4-sulfamoylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: (2R)-N-(4-sulfamoylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: (2R)-N-(4-sulfamoylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: (2R)-N-(4-sulfamoylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H21N3O3S/c1-13(21-11-10-14-4-2-3-5-15(14)12-21)18(22)20-16-6-8-17(9-7-16)25(19,23)24/h2-9,13H,10-12H2,1H3,(H,20,22)(H2,19,23,24)/p+1/t13-/m1/s1