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

Systemtic Name: N-[2-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl]pyridine-4-carboxamide Openeye Name: N-[2-(3-thienylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl]pyridine-4-carboxamide CAS Name: N-[2-(3-thiophenylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl]pyridine-4-carboxamide Traditional Name: N-[2-(3-thenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl]isonicotinamide Formula: C20H20N3OS+ MolecularWeight: 350.4573

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1C(=CC=C2)NC(=O)C3=CC=NC=C3)CC4=CSC=C4

Isomeric SMILES

C1C[NH+](CC2=C1C(=CC=C2)NC(=O)C3=CC=NC=C3)CC4=CSC=C4

InChI

InChI=1S/C20H19N3OS/c24-20(16-4-8-21-9-5-16)22-19-3-1-2-17-13-23(10-6-18(17)19)12-15-7-11-25-14-15/h1-5,7-9,11,14H,6,10,12-13H2,(H,22,24)/p+1