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

Systemtic Name: 2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H22N5O+ MolecularWeight: 360.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C21H21N5O/c1-15-18(16(2)26(24-15)14-17-8-4-3-5-9-17)13-22-19-12-21(27)25-11-7-6-10-20(25)23-19/h3-12H,13-14H2,1-2H3,(H,22,27)/p+1