3,5-dimethyl-2-octyl-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 3,5-dimethyl-2-octyl-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 3,5-dimethyl-2-octyl-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 3,5-dimethyl-2-octyl-4-pyrido[1,2-a]pyrimidin-5-iumone IUPAC Name: 3,5-dimethyl-2-octylpyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 3,5-dimethyl-2-octyl-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=O)[N+]2(C=CC=CC2=N1)C)C

Isomeric SMILES

CCCCCCCCC1=C(C(=O)[N+]2(C=CC=CC2=N1)C)C

InChI

InChI=1S/C18H27N2O/c1-4-5-6-7-8-9-12-16-15(2)18(21)20(3)14-11-10-13-17(20)19-16/h10-11,13-14H,4-9,12H2,1-3H3/q+1