2-[2-(2-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]-1,3,3-trimethyl-indol-1-ium ethanoate

Systemtic Name: 2-[2-(2-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]-1,3,3-trimethyl-indol-1-ium ethanoate Openeye Name: 2-[2-(2-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]-1,3,3-trimethyl-indol-1-ium acetate CAS Name: 2-[2-(2-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]-1,3,3-trimethylindol-1-ium acetate IUPAC Name: 2-[2-(2-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]-1,3,3-trimethylindol-1-ium acetate Traditional Name: 2-[1-(2-chlorophenyl)-5-methyl-2-pyrazolin-3-yl]-1,3,3-trimethyl-indol-1-ium acetate Formula: C23H26ClN3O2 MolecularWeight: 411.92444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=NN1C2=CC=CC=C2Cl)C3=[N+](C4=CC=CC=C4C3(C)C)C.CC(=O)[O-]

Isomeric SMILES

CC1CC(=NN1C2=CC=CC=C2Cl)C3=[N+](C4=CC=CC=C4C3(C)C)C.CC(=O)[O-]

InChI

InChI=1S/C21H23ClN3.C2H4O2/c1-14-13-17(23-25(14)19-12-8-6-10-16(19)22)20-21(2,3)15-9-5-7-11-18(15)24(20)4;1-2(3)4/h5-12,14H,13H2,1-4H3;1H3,(H,3,4)/q+1;/p-1