[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(4-oxidanylcyclohexyl)azanium

Systemtic Name: [3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(4-oxidanylcyclohexyl)azanium Openeye Name: [3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(4-hydroxycyclohexyl)ammonium CAS Name: [3-(2-chlorophenyl)-1-(4-methoxyphenyl)-4-pyrazolyl]methyl-(4-hydroxycyclohexyl)ammonium IUPAC Name: [3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(4-hydroxycyclohexyl)azanium Traditional Name: [3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(4-hydroxycyclohexyl)ammonium Formula: C23H27ClN3O2+ MolecularWeight: 412.93238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3Cl)C[NH2+]C4CCC(CC4)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3Cl)C[NH2+]C4CCC(CC4)O

InChI

InChI=1S/C23H26ClN3O2/c1-29-20-12-8-18(9-13-20)27-15-16(14-25-17-6-10-19(28)11-7-17)23(26-27)21-4-2-3-5-22(21)24/h2-5,8-9,12-13,15,17,19,25,28H,6-7,10-11,14H2,1H3/p+1