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

Systemtic Name: 2-[4-(1-adamantyl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[4-(1-adamantyl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[4-(1-adamantyl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[4-(1-adamantyl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[4-(1-adamantyl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C24H24N3O4+ MolecularWeight: 418.46506

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OC5=C(C(=O)[N+]6=CC=CC=C6N5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OC5=C(C(=O)[N+]6=CC=CC=C6N5)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O4/c28-23-21(27(29)30)22(25-20-3-1-2-8-26(20)23)31-19-6-4-18(5-7-19)24-12-15-9-16(13-24)11-17(10-15)14-24/h1-8,15-17H,9-14H2/p+1