N,N-dimethyl-2-sulfanylidene-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N,N-dimethyl-2-sulfanylidene-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-5-sulfonamide Openeye Name: N,N-dimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: N,N-dimethyl-2-sulfanylidene-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-5-sulfonamide IUPAC Name: N,N-dimethyl-2-sulfanylidene-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-5-sulfonamide Traditional Name: N,N-dimethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C19H22N3O3S2+ MolecularWeight: 404.52628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C19H21N3O3S2/c1-20(2)27(23,24)16-7-8-18-17(11-16)22(19(26)25-18)13-21-10-9-14-5-3-4-6-15(14)12-21/h3-8,11H,9-10,12-13H2,1-2H3/p+1