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

Systemtic Name: [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-(4-oxidanylcyclohexyl)azanium Openeye Name: (4-hydroxycyclohexyl)-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]ammonium CAS Name: (4-hydroxycyclohexyl)-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]ammonium IUPAC Name: (4-hydroxycyclohexyl)-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]azanium Traditional Name: (4-hydroxycyclohexyl)-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]ammonium Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C[NH2+]C3CCC(CC3)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C[NH2+]C3CCC(CC3)O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c1-28-22-9-5-6-17(14-22)23-18(15-24-19-10-12-21(27)13-11-19)16-26(25-23)20-7-3-2-4-8-20/h2-9,14,16,19,21,24,27H,10-13,15H2,1H3/p+1