N-[2-(quinolin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide

Systemtic Name: N-[2-(quinolin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-(2-quinolylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide CAS Name: N-[2-(2-quinolinylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-(quinolin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-(2-quinolylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]isonicotinamide Formula: C25H23N4O+ MolecularWeight: 395.47632

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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=C5C=C4

Isomeric SMILES

C1C[NH+](CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)CC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H22N4O/c30-25(20-9-12-26-13-10-20)28-22-7-5-18-11-14-29(16-21(18)15-22)17-23-8-6-19-3-1-2-4-24(19)27-23/h1-10,12-13,15H,11,14,16-17H2,(H,28,30)/p+1