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

Systemtic Name: 4-oxidanylidene-N-(3-phenylpropyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: 4-oxo-N-(3-phenylpropyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: 4-oxo-N-(3-phenylpropyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: 4-oxo-N-(3-phenylpropyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: 4-keto-N-(3-phenylpropyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C18H18N3O2+ MolecularWeight: 308.35442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2/c22-17(19-11-6-9-14-7-2-1-3-8-14)15-13-20-16-10-4-5-12-21(16)18(15)23/h1-5,7-8,10,12-13H,6,9,11H2,(H,19,22)/p+1