2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzothiazole

Systemtic Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzothiazole Openeye Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzothiazole CAS Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzothiazole Traditional Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzothiazole Formula: C19H21N2O2S+ MolecularWeight: 341.44724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C19H20N2O2S/c1-22-16-9-13-7-8-21(11-14(13)10-17(16)23-2)12-19-20-15-5-3-4-6-18(15)24-19/h3-6,9-10H,7-8,11-12H2,1-2H3/p+1