N-cyclohexyl-4-oxidanylidene-N-phenyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: N-cyclohexyl-4-oxidanylidene-N-phenyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-cyclohexyl-4-oxo-N-phenyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-cyclohexyl-4-oxo-N-phenyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-cyclohexyl-4-oxo-N-phenyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-cyclohexyl-4-keto-N-phenyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C21H22N3O2+ MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=[N+]4C3=O

Isomeric SMILES

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=[N+]4C3=O

InChI

InChI=1S/C21H21N3O2/c25-20-18(15-22-19-13-7-8-14-23(19)20)21(26)24(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1,3-4,7-10,13-15,17H,2,5-6,11-12H2/p+1