2-oxidanylidene-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1H-quinoline-4-carboxamide

Systemtic Name: 2-oxidanylidene-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1H-quinoline-4-carboxamide Openeye Name: 2-oxo-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1H-quinoline-4-carboxamide CAS Name: 2-oxo-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1H-quinoline-4-carboxamide IUPAC Name: 2-oxo-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1H-quinoline-4-carboxamide Traditional Name: 2-keto-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1H-quinoline-4-carboxamide Formula: C21H22N3O2+ MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCNC(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCNC(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O2/c25-20-13-18(17-7-3-4-8-19(17)23-20)21(26)22-10-12-24-11-9-15-5-1-2-6-16(15)14-24/h1-8,13H,9-12,14H2,(H,22,26)(H,23,25)/p+1