3-nitro-2-(4-pentylphenoxy)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 3-nitro-2-(4-pentylphenoxy)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 3-nitro-2-(4-pentylphenoxy)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 3-nitro-2-(4-pentylphenoxy)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 3-nitro-2-(4-pentylphenoxy)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(4-amylphenoxy)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C19H20N3O4+ MolecularWeight: 354.3798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC2=C(C(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC2=C(C(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4/c1-2-3-4-7-14-9-11-15(12-10-14)26-18-17(22(24)25)19(23)21-13-6-5-8-16(21)20-18/h5-6,8-13H,2-4,7H2,1H3/p+1