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

Systemtic Name: (2R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-2-methyl-3-pyrazol-1-yl-propanamide Openeye Name: (2R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-2-methyl-3-pyrazol-1-yl-propanamide CAS Name: (2R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridin-1-iumyl]methyl]-2-methyl-3-(1-pyrazolyl)propanamide IUPAC Name: (2R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-2-methyl-3-pyrazol-1-ylpropanamide Traditional Name: (2R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-2-methyl-3-pyrazol-1-yl-propionamide Formula: C22H26N5O+ MolecularWeight: 376.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CC=N1)C(=O)NCC2=C([NH+]=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C[C@H](CN1C=CC=N1)C(=O)NCC2=C([NH+]=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H25N5O/c1-17(15-27-12-5-11-25-27)22(28)24-14-19-8-4-10-23-21(19)26-13-9-18-6-2-3-7-20(18)16-26/h2-8,10-12,17H,9,13-16H2,1H3,(H,24,28)/p+1/t17-/m1/s1