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

Systemtic Name: N-[(2S)-5-methylhexan-2-yl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[(2S)-5-methylhexan-2-yl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[(2S)-5-methylhexan-2-yl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c1-11(2)7-8-12(3)18-15(20)13-10-17-14-6-4-5-9-19(14)16(13)21/h4-6,9-12H,7-8H2,1-3H3,(H,18,20)/p+1/t12-/m0/s1