N-[(1S)-1-(5-methyl-1-pyridin-2-yl-pyrazol-4-yl)ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: N-[(1S)-1-(5-methyl-1-pyridin-2-yl-pyrazol-4-yl)ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-[(1S)-1-[5-methyl-1-(2-pyridyl)pyrazol-4-yl]ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[(1S)-1-[5-methyl-1-(2-pyridinyl)-4-pyrazolyl]ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: 4-keto-N-[(1S)-1-[5-methyl-1-(2-pyridyl)pyrazol-4-yl]ethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C20H19N6O2+ MolecularWeight: 375.40386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=N2)C(C)NC(=O)C3=CNC4=CC=CC=[N+]4C3=O

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=N2)[C@H](C)NC(=O)C3=CNC4=CC=CC=[N+]4C3=O

InChI

InChI=1S/C20H18N6O2/c1-13(15-12-23-26(14(15)2)18-8-3-5-9-21-18)24-19(27)16-11-22-17-7-4-6-10-25(17)20(16)28/h3-13H,1-2H3,(H,24,27)/p+1/t13-/m0/s1