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

Systemtic Name: N-[(1S)-1-(4-bromophenyl)propyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-[(1S)-1-(4-bromophenyl)propyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[(1S)-1-(4-bromophenyl)propyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[(1S)-1-(4-bromophenyl)propyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-[(1S)-1-(4-bromophenyl)propyl]-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C18H17BrN3O2+ MolecularWeight: 387.25048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O2/c1-2-15(12-6-8-13(19)9-7-12)21-17(23)14-11-20-16-5-3-4-10-22(16)18(14)24/h3-11,15H,2H2,1H3,(H,21,23)/p+1/t15-/m0/s1