(3R)-2-[2-(4-sulfamoylphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-2-[2-(4-sulfamoylphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-2-[2-(4-sulfamoylphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-2-[2-(4-sulfamoylphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-2-[2-(4-sulfamoylphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-2-[2-(4-sulfamoylphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+](CC2=CC=CC=C21)CCOC3=CC=C(C=C3)S(=O)(=O)N)C(=O)N

Isomeric SMILES

C1[C@@H]([NH+](CC2=CC=CC=C21)CCOC3=CC=C(C=C3)S(=O)(=O)N)C(=O)N

InChI

InChI=1S/C18H21N3O4S/c19-18(22)17-11-13-3-1-2-4-14(13)12-21(17)9-10-25-15-5-7-16(8-6-15)26(20,23)24/h1-8,17H,9-12H2,(H2,19,22)(H2,20,23,24)/p+1/t17-/m1/s1