N-[2-(1,3-benzothiazol-2-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl]pyridine-4-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl]pyridine-4-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl]pyridine-4-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl]pyridine-4-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl]isonicotinamide Formula: C23H21N4OS+ MolecularWeight: 401.50404

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1C(=CC=C2)NC(=O)C3=CC=NC=C3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[NH+](CC2=C1C(=CC=C2)NC(=O)C3=CC=NC=C3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H20N4OS/c28-23(16-8-11-24-12-9-16)26-19-6-3-4-17-14-27(13-10-18(17)19)15-22-25-20-5-1-2-7-21(20)29-22/h1-9,11-12H,10,13-15H2,(H,26,28)/p+1