2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(1,3-diphenyl-4-pyrazolyl)methyl-methylamino]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C27H26N5O+ MolecularWeight: 436.52824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CN(C)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CN(C)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N5O/c1-20-10-9-15-31-25(33)16-23(28-27(20)31)19-30(2)17-22-18-32(24-13-7-4-8-14-24)29-26(22)21-11-5-3-6-12-21/h3-16,18H,17,19H2,1-2H3/p+1