(1,3-diphenylpyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl-methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: (1,3-diphenyl-4-pyrazolyl)methyl-methyl-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl-methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: (1,3-diphenylpyrazol-4-yl)methyl-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-methyl-ammonium Formula: C27H30N7O+ MolecularWeight: 468.5734

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C[NH+](CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C27H29N7O/c1-31(21-25(35)32-15-17-33(18-16-32)27-28-13-8-14-29-27)19-23-20-34(24-11-6-3-7-12-24)30-26(23)22-9-4-2-5-10-22/h2-14,20H,15-19,21H2,1H3/p+1