2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[methyl(piperonyl)amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H16N3O3+ MolecularWeight: 310.32724

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)C3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)C3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C17H15N3O3/c1-19(10-12-5-6-13-14(8-12)23-11-22-13)16-9-17(21)20-7-3-2-4-15(20)18-16/h2-9H,10-11H2,1H3/p+1