3-cyclohexyl-1-[2-[(4-methoxyphenyl)amino]ethylcarbamoyl]-1-phenyl-5-(trifluoromethyl)pyrazol-1-ium-4-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-[2-[(4-methoxyphenyl)amino]ethylcarbamoyl]-1-phenyl-5-(trifluoromethyl)pyrazol-1-ium-4-carboxylic acid Openeye Name: 3-cyclohexyl-1-[2-(4-methoxyanilino)ethylcarbamoyl]-1-phenyl-5-(trifluoromethyl)pyrazol-1-ium-4-carboxylic acid CAS Name: 3-cyclohexyl-1-[[2-(4-methoxyanilino)ethylamino]-oxomethyl]-1-phenyl-5-(trifluoromethyl)-4-pyrazol-1-iumcarboxylic acid IUPAC Name: 3-cyclohexyl-1-[2-(4-methoxyanilino)ethylcarbamoyl]-1-phenyl-5-(trifluoromethyl)pyrazol-1-ium-4-carboxylic acid Traditional Name: 3-cyclohexyl-1-[2-(p-anisidino)ethylcarbamoyl]-1-phenyl-5-(trifluoromethyl)pyrazol-1-ium-4-carboxylic acid Formula: C27H30F3N4O4+ MolecularWeight: 531.54671

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NCCNC(=O)[N+]2(C(=C(C(=N2)C3CCCCC3)C(=O)O)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NCCNC(=O)[N+]2(C(=C(C(=N2)C3CCCCC3)C(=O)O)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C27H29F3N4O4/c1-38-21-14-12-19(13-15-21)31-16-17-32-26(37)34(20-10-6-3-7-11-20)24(27(28,29)30)22(25(35)36)23(33-34)18-8-4-2-5-9-18/h3,6-7,10-15,18,31H,2,4-5,8-9,16-17H2,1H3,(H-,32,35,36,37)/p+1