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

Systemtic Name: 2-[2-(3-methylphenoxy)ethylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[2-(3-methylphenoxy)ethylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[2-(3-methylphenoxy)ethylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[2-(3-methylphenoxy)ethylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[2-(3-methylphenoxy)ethylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H18N3O2+ MolecularWeight: 296.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC2=CC(=O)[N+]3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC2=CC(=O)[N+]3=CC=CC=C3N2

InChI

InChI=1S/C17H17N3O2/c1-13-5-4-6-14(11-13)22-10-8-18-15-12-17(21)20-9-3-2-7-16(20)19-15/h2-7,9,11-12H,8,10H2,1H3,(H,18,21)/p+1