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

Systemtic Name: N-[(2S)-butan-2-yl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-[(1S)-1-methylpropyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[(2S)-butan-2-yl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[(2S)-butan-2-yl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: 4-keto-N-[(1S)-1-methylpropyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C13H16N3O2+ MolecularWeight: 246.28504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CNC2=CC=CC=[N+]2C1=O

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CNC2=CC=CC=[N+]2C1=O

InChI

InChI=1S/C13H15N3O2/c1-3-9(2)15-12(17)10-8-14-11-6-4-5-7-16(11)13(10)18/h4-9H,3H2,1-2H3,(H,15,17)/p+1/t9-/m0/s1