2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-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:

C1C(OC2=CC=CC=C2O1)CNC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)CNC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C17H15N3O3/c21-17-9-15(19-16-7-3-4-8-20(16)17)18-10-12-11-22-13-5-1-2-6-14(13)23-12/h1-9,12H,10-11H2,(H,18,21)/p+1/t12-/m0/s1