N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamide

Systemtic Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamide Openeye Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide CAS Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridin-1-iumyl]methyl]-2-(3,5-dimethyl-1-pyrazolyl)acetamide IUPAC Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide Traditional Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide Formula: C22H26N5O+ MolecularWeight: 376.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NCC2=C([NH+]=CC=C2)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)NCC2=C([NH+]=CC=C2)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C22H25N5O/c1-16-12-17(2)27(25-16)15-21(28)24-13-19-8-5-10-23-22(19)26-11-9-18-6-3-4-7-20(18)14-26/h3-8,10,12H,9,11,13-15H2,1-2H3,(H,24,28)/p+1