N-[(2S)-butan-2-yl]-9-methyl-4-oxidanyl-2-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-9-methyl-4-oxidanyl-2-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: 4-hydroxy-9-methyl-N-[(1S)-1-methylpropyl]-2-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[(2S)-butan-2-yl]-4-hydroxy-9-methyl-2-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[(2S)-butan-2-yl]-4-hydroxy-9-methyl-2-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: 4-hydroxy-2-keto-9-methyl-N-[(1S)-1-methylpropyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C14H18N3O3+ MolecularWeight: 276.31102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C([N+]2=CC=CC(=C2NC1=O)C)O

Isomeric SMILES

CC[C@H](C)NC(=O)C1=C([N+]2=CC=CC(=C2NC1=O)C)O

InChI

InChI=1S/C14H17N3O3/c1-4-9(3)15-12(18)10-13(19)16-11-8(2)6-5-7-17(11)14(10)20/h5-7,9H,4H2,1-3H3,(H2,15,18,19,20)/p+1/t9-/m0/s1