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

Systemtic Name: 4-oxidanylidene-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-[(1S)-1-(4-isopropylphenyl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: 4-oxo-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: 4-oxo-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: 4-keto-N-[(1S)-1-p-cumenylethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C20H22N3O2+ MolecularWeight: 336.40758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2/c1-13(2)15-7-9-16(10-8-15)14(3)22-19(24)17-12-21-18-6-4-5-11-23(18)20(17)25/h4-14H,1-3H3,(H,22,24)/p+1/t14-/m0/s1