[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-(2-methoxy-2-oxidanylidene-ethyl)azanium

Systemtic Name: [3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-(2-methoxy-2-oxidanylidene-ethyl)azanium Openeye Name: [3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-(2-methoxy-2-oxo-ethyl)ammonium CAS Name: [3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl-(2-methoxy-2-oxoethyl)ammonium IUPAC Name: [3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl-(2-methoxy-2-oxoethyl)azanium Traditional Name: [3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-(2-keto-2-methoxy-ethyl)ammonium Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH2+]CC(=O)OC

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH2+]CC(=O)OC

InChI

InChI=1S/C20H27N3O2/c1-23-14-18(12-21-13-19(24)25-2)20(22-23)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,14-15,21H,3-7,12-13H2,1-2H3/p+1