dimethyl-[2-[[1-(2-methylphenyl)-5-phenyl-pyrazol-4-yl]carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[1-(2-methylphenyl)-5-phenyl-pyrazol-4-yl]carbonylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[1-(o-tolyl)-5-phenyl-pyrazole-4-carbonyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[[[1-(2-methylphenyl)-5-phenyl-4-pyrazolyl]-oxomethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[1-(2-methylphenyl)-5-phenylpyrazole-4-carbonyl]amino]ethyl]azanium Traditional Name: dimethyl-[2-[[1-(o-tolyl)-5-phenyl-pyrazole-4-carbonyl]amino]ethyl]ammonium Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)NCC[NH+](C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)NCC[NH+](C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O/c1-16-9-7-8-12-19(16)25-20(17-10-5-4-6-11-17)18(15-23-25)21(26)22-13-14-24(2)3/h4-12,15H,13-14H2,1-3H3,(H,22,26)/p+1