2-[(6-pyrazol-1-ylpyridin-3-yl)methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(6-pyrazol-1-ylpyridin-3-yl)methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(6-pyrazol-1-yl-3-pyridyl)methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[6-(1-pyrazolyl)-3-pyridinyl]methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(6-pyrazol-1-ylpyridin-3-yl)methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(6-pyrazol-1-yl-3-pyridyl)methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H15N6O+ MolecularWeight: 319.3406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)NC(=CC2=O)NCC3=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC=[N+]2C(=C1)NC(=CC2=O)NCC3=CN=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C17H14N6O/c24-17-10-14(21-16-4-1-2-8-22(16)17)18-11-13-5-6-15(19-12-13)23-9-3-7-20-23/h1-10,12H,11H2,(H,18,24)/p+1