2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzothiazole

Systemtic Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzothiazole Openeye Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzothiazole CAS Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzothiazole IUPAC Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzothiazole Traditional Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzothiazole Formula: C17H17N2S+ MolecularWeight: 281.39528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H16N2S/c1-2-6-14-11-19(10-9-13(14)5-1)12-17-18-15-7-3-4-8-16(15)20-17/h1-8H,9-12H2/p+1