N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C19H20N3OS+ MolecularWeight: 338.4466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C19H19N3OS/c1-13-6-7-16-17(10-13)24-19(20-16)21-18(23)12-22-9-8-14-4-2-3-5-15(14)11-22/h2-7,10H,8-9,11-12H2,1H3,(H,20,21,23)/p+1