N-[(2S)-butan-2-yl]-7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: 7-methyl-N-[(1S)-1-methylpropyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[(2S)-butan-2-yl]-7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[(2S)-butan-2-yl]-7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: 4-keto-7-methyl-N-[(1S)-1-methylpropyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C14H18N3O2+ MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CNC2=[N+](C1=O)C=C(C=C2)C

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CNC2=[N+](C1=O)C=C(C=C2)C

InChI

InChI=1S/C14H17N3O2/c1-4-10(3)16-13(18)11-7-15-12-6-5-9(2)8-17(12)14(11)19/h5-8,10H,4H2,1-3H3,(H,16,18)/p+1/t10-/m0/s1