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

Systemtic Name: 1,3,3-trimethyl-2-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]indol-1-ium chloride Openeye Name: 1,3,3-trimethyl-2-[3-methyl-2-(p-tolyl)-3,4-dihydropyrazol-5-yl]indol-1-ium chloride CAS Name: 1,3,3-trimethyl-2-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]indol-1-ium chloride IUPAC Name: 1,3,3-trimethyl-2-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]indol-1-ium chloride Traditional Name: 1,3,3-trimethyl-2-[5-methyl-1-(p-tolyl)-2-pyrazolin-3-yl]indol-1-ium chloride Formula: C22H26ClN3 MolecularWeight: 367.91494

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=NN1C2=CC=C(C=C2)C)C3=[N+](C4=CC=CC=C4C3(C)C)C.[Cl-]

Isomeric SMILES

CC1CC(=NN1C2=CC=C(C=C2)C)C3=[N+](C4=CC=CC=C4C3(C)C)C.[Cl-]

InChI

InChI=1S/C22H26N3.ClH/c1-15-10-12-17(13-11-15)25-16(2)14-19(23-25)21-22(3,4)18-8-6-7-9-20(18)24(21)5;/h6-13,16H,14H2,1-5H3;1H/q+1;/p-1