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

Systemtic Name: N-[2-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-2-carboxamide Openeye Name: N-[2-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-2-carboxamide CAS Name: N-[2-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]-2-pyridinecarboxamide IUPAC Name: N-[2-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-2-carboxamide Traditional Name: N-[2-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]picolinamide 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=CC=N3)CC4=CC=CN4C5=CC=CC=N5

Isomeric SMILES

C1C[NH+](CC2=C1C=CC(=C2)NC(=O)C3=CC=CC=N3)CC4=CC=CN4C5=CC=CC=N5

InChI

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