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

Systemtic Name: 2-(4-cyclohexylphenoxy)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(4-cyclohexylphenoxy)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-(4-cyclohexylphenoxy)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-(4-cyclohexylphenoxy)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(4-cyclohexylphenoxy)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H20N3O4+ MolecularWeight: 366.3905

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)OC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4/c24-20-18(23(25)26)19(21-17-8-4-5-13-22(17)20)27-16-11-9-15(10-12-16)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2/p+1