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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C18H18N3OS+ MolecularWeight: 324.42002

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H17N3OS/c22-17(20-18-19-15-7-3-4-8-16(15)23-18)12-21-10-9-13-5-1-2-6-14(13)11-21/h1-8H,9-12H2,(H,19,20,22)/p+1