[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methyl-(4-oxidanylcyclohexyl)azanium

Systemtic Name: [3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methyl-(4-oxidanylcyclohexyl)azanium Openeye Name: [1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]methyl-(4-hydroxycyclohexyl)ammonium CAS Name: [3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]methyl-(4-hydroxycyclohexyl)ammonium IUPAC Name: [1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]methyl-(4-hydroxycyclohexyl)azanium Traditional Name: [1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]methyl-(4-hydroxycyclohexyl)ammonium Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C[NH2+]C3CCC(CC3)O)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C[NH2+]C3CCC(CC3)O)CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H31N3O3/c1-30-23-13-8-19(14-24(23)31-2)25-20(15-26-21-9-11-22(29)12-10-21)17-28(27-25)16-18-6-4-3-5-7-18/h3-8,13-14,17,21-22,26,29H,9-12,15-16H2,1-2H3/p+1