[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl-(4-oxidanylcyclohexyl)azanium

Systemtic Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl-(4-oxidanylcyclohexyl)azanium Openeye Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl-(4-hydroxycyclohexyl)ammonium CAS Name: [3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]methyl-(4-hydroxycyclohexyl)ammonium IUPAC Name: [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl-(4-hydroxycyclohexyl)azanium Traditional Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl-(4-hydroxycyclohexyl)ammonium Formula: C24H30N3O+ MolecularWeight: 376.5145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C[NH2+]C3CCC(CC3)O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C[NH2+]C3CCC(CC3)O)C4=CC=CC=C4)C

InChI

InChI=1S/C24H29N3O/c1-17-8-9-19(14-18(17)2)24-20(15-25-21-10-12-23(28)13-11-21)16-27(26-24)22-6-4-3-5-7-22/h3-9,14,16,21,23,25,28H,10-13,15H2,1-2H3/p+1