(2R)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-4H-1,4-benzothiazin-3-one

Systemtic Name: (2R)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-4H-1,4-benzothiazin-3-one Openeye Name: (2R)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-4H-1,4-benzothiazin-3-one CAS Name: (2R)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-4H-1,4-benzothiazin-3-one IUPAC Name: (2R)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-4H-1,4-benzothiazin-3-one Traditional Name: (2R)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-4H-1,4-benzothiazin-3-one Formula: C19H21N2O3S+ MolecularWeight: 357.44664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)C3C(=O)NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)[C@H]3C(=O)NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C19H20N2O3S/c1-23-15-9-12-7-8-21(11-13(12)10-16(15)24-2)19-18(22)20-14-5-3-4-6-17(14)25-19/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,20,22)/p+1/t19-/m1/s1