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

Systemtic Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[(1S)-1-[4-(1-imidazolyl)phenyl]ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C20H18N5O2+ MolecularWeight: 360.38922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CNC4=CC=CC=[N+]4C3=O

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CNC4=CC=CC=[N+]4C3=O

InChI

InChI=1S/C20H17N5O2/c1-14(15-5-7-16(8-6-15)24-11-9-21-13-24)23-19(26)17-12-22-18-4-2-3-10-25(18)20(17)27/h2-14H,1H3,(H,23,26)/p+1/t14-/m0/s1