[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-bis(2-hydroxyethyl)azanium

Systemtic Name: [3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-bis(2-hydroxyethyl)azanium Openeye Name: [3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-bis(2-hydroxyethyl)ammonium CAS Name: [3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl-bis(2-hydroxyethyl)ammonium IUPAC Name: [3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl-bis(2-hydroxyethyl)azanium Traditional Name: [3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-bis(2-hydroxyethyl)ammonium Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+](CCO)CCO

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+](CCO)CCO

InChI

InChI=1S/C21H31N3O2/c1-23-15-20(16-24(11-13-25)12-14-26)21(22-23)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h7-10,15,17,25-26H,2-6,11-14,16H2,1H3/p+1