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

Systemtic Name: N-[(2S)-butan-2-yl]-N-[(4-methylphenyl)methyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-[(1S)-1-methylpropyl]-4-oxo-N-(p-tolylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[(2S)-butan-2-yl]-N-[(4-methylphenyl)methyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[(2S)-butan-2-yl]-N-[(4-methylphenyl)methyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: 4-keto-N-(4-methylbenzyl)-N-[(1S)-1-methylpropyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C21H24N3O2+ MolecularWeight: 350.43416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)C)C(=O)C2=CNC3=CC=CC=[N+]3C2=O

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)C)C(=O)C2=CNC3=CC=CC=[N+]3C2=O

InChI

InChI=1S/C21H23N3O2/c1-4-16(3)24(14-17-10-8-15(2)9-11-17)21(26)18-13-22-19-7-5-6-12-23(19)20(18)25/h5-13,16H,4,14H2,1-3H3/p+1/t16-/m0/s1