4-[4-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C27H29N4O2+ MolecularWeight: 441.54476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCN(CC3)C4=CC=C(C=C4)O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCN(CC3)C4=CC=C(C=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2/c1-33-26-9-5-6-21(18-26)27-22(20-31(28-27)24-7-3-2-4-8-24)19-29-14-16-30(17-15-29)23-10-12-25(32)13-11-23/h2-13,18,20,32H,14-17,19H2,1H3/p+1