[4-[(1-phenylpyrazol-3-yl)amino]phenyl] 1,2,6-trimethylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: [4-[(1-phenylpyrazol-3-yl)amino]phenyl] 1,2,6-trimethylpyridin-1-ium-3-carboxylate iodide Openeye Name: [4-[(1-phenylpyrazol-3-yl)amino]phenyl] 1,2,6-trimethylpyridin-1-ium-3-carboxylate iodide CAS Name: 1,2,6-trimethyl-3-pyridin-1-iumcarboxylic acid [4-[(1-phenyl-3-pyrazolyl)amino]phenyl] ester iodide IUPAC Name: [4-[(1-phenylpyrazol-3-yl)amino]phenyl] 1,2,6-trimethylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1,2,6-trimethylpyridin-1-ium-3-carboxylic acid [4-[(1-phenylpyrazol-3-yl)amino]phenyl] ester iodide Formula: C24H23IN4O2 MolecularWeight: 526.36949

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=C(C=C1)C(=O)OC2=CC=C(C=C2)NC3=NN(C=C3)C4=CC=CC=C4)C)C.[I-]

Isomeric SMILES

CC1=[N+](C(=C(C=C1)C(=O)OC2=CC=C(C=C2)NC3=NN(C=C3)C4=CC=CC=C4)C)C.[I-]

InChI

InChI=1S/C24H23N4O2.HI/c1-17-9-14-22(18(2)27(17)3)24(29)30-21-12-10-19(11-13-21)25-23-15-16-28(26-23)20-7-5-4-6-8-20;/h4-16H,1-3H3,(H,25,26);1H/q+1;/p-1