N-[2-[(3-pyrazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide

Systemtic Name: N-[2-[(3-pyrazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-[(3-pyrazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide CAS Name: N-[2-[[3-(1-pyrazolyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-[(3-pyrazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-(3-pyrazol-1-ylbenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]isonicotinamide Formula: C25H24N5O+ MolecularWeight: 410.49096

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)CC4=CC(=CC=C4)N5C=CC=N5

Isomeric SMILES

C1C[NH+](CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)CC4=CC(=CC=C4)N5C=CC=N5

InChI

InChI=1S/C25H23N5O/c31-25(21-7-11-26-12-8-21)28-23-6-5-20-9-14-29(18-22(20)16-23)17-19-3-1-4-24(15-19)30-13-2-10-27-30/h1-8,10-13,15-16H,9,14,17-18H2,(H,28,31)/p+1