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

Systemtic Name: 7-chloranyl-2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-chloro-2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-chloro-2-[[(1,3-diphenyl-4-pyrazolyl)methyl-methylamino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-chloro-2-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-chloro-2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C26H23ClN5O+ MolecularWeight: 456.94672

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=O)[N+]2=C(N1)C=CC(=C2)Cl)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN(CC1=CC(=O)[N+]2=C(N1)C=CC(=C2)Cl)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H22ClN5O/c1-30(18-22-14-25(33)31-17-21(27)12-13-24(31)28-22)15-20-16-32(23-10-6-3-7-11-23)29-26(20)19-8-4-2-5-9-19/h2-14,16-17H,15,18H2,1H3/p+1