2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[(1S)-1-(o-tolyl)ethyl]amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(1S)-1-(o-tolyl)ethyl]amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H18N3O+ MolecularWeight: 280.34432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC2=CC(=O)[N+]3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=CC=C1[C@H](C)NC2=CC(=O)[N+]3=CC=CC=C3N2

InChI

InChI=1S/C17H17N3O/c1-12-7-3-4-8-14(12)13(2)18-15-11-17(21)20-10-6-5-9-16(20)19-15/h3-11,13H,1-2H3,(H,18,21)/p+1/t13-/m0/s1