N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-2-pyridin-3-yl-ethanamide

Systemtic Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-2-pyridin-3-yl-ethanamide Openeye Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-2-(3-pyridyl)acetamide CAS Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridin-1-iumyl]methyl]-2-(3-pyridinyl)acetamide IUPAC Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-2-pyridin-3-ylacetamide Traditional Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-2-(3-pyridyl)acetamide Formula: C22H23N4O+ MolecularWeight: 359.44422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=CC=[NH+]3)CNC(=O)CC4=CN=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=CC=[NH+]3)CNC(=O)CC4=CN=CC=C4

InChI

InChI=1S/C22H22N4O/c27-21(13-17-5-3-10-23-14-17)25-15-19-8-4-11-24-22(19)26-12-9-18-6-1-2-7-20(18)16-26/h1-8,10-11,14H,9,12-13,15-16H2,(H,25,27)/p+1