3-[[5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[5-(4-fluorophenoxy)-3-methyl-1-phenyl-4-pyrazolyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methylammonio]propyl-dimethyl-ammonium Formula: C22H29FN4O+2 MolecularWeight: 384.490263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH2+]CCC[NH+](C)C)OC2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C[NH2+]CCC[NH+](C)C)OC2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C22H27FN4O/c1-17-21(16-24-14-7-15-26(2)3)22(28-20-12-10-18(23)11-13-20)27(25-17)19-8-5-4-6-9-19/h4-6,8-13,24H,7,14-16H2,1-3H3/p+2