[[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]-dimethyl-azaniumyl]methanoate

Systemtic Name: [[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]-dimethyl-azaniumyl]methanoate Openeye Name: [[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]-dimethyl-ammonio]formate CAS Name: [[2,6-dimethyl-4-[(1-phenyl-3-pyrazolyl)amino]phenyl]-dimethylammonio]formate IUPAC Name: [[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]-dimethylazaniumyl]formate Traditional Name: [[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]-dimethyl-ammonio]formate Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1[N+](C)(C)C(=O)[O-])C)NC2=NN(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1[N+](C)(C)C(=O)[O-])C)NC2=NN(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2/c1-14-12-16(13-15(2)19(14)24(3,4)20(25)26)21-18-10-11-23(22-18)17-8-6-5-7-9-17/h5-13H,1-4H3,(H-,21,22,25,26)