1,2-bis(5-methyl-2-propan-2-yl-cyclohexyl)-3,5-diphenyl-pyrazol-1-ium; methyl sulfate

Systemtic Name: 1,2-bis(5-methyl-2-propan-2-yl-cyclohexyl)-3,5-diphenyl-pyrazol-1-ium; methyl sulfate Openeye Name: 1,2-bis(2-isopropyl-5-methyl-cyclohexyl)-3,5-diphenyl-pyrazol-1-ium; methyl sulfate CAS Name: 1,2-bis(5-methyl-2-propan-2-ylcyclohexyl)-3,5-diphenylpyrazol-1-ium; methyl sulfate IUPAC Name: 1,2-bis(5-methyl-2-propan-2-ylcyclohexyl)-3,5-diphenylpyrazol-1-ium; methyl sulfate Traditional Name: 1,2-bis(2-isopropyl-5-methyl-cyclohexyl)-3,5-diphenyl-pyrazol-1-ium; methyl sulfate Formula: C36H52N2O4S MolecularWeight: 608.87408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)N2C(=CC(=[N+]2C3CC(CCC3C(C)C)C)C4=CC=CC=C4)C5=CC=CC=C5)C(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1CCC(C(C1)N2C(=CC(=[N+]2C3CC(CCC3C(C)C)C)C4=CC=CC=C4)C5=CC=CC=C5)C(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C35H49N2.CH4O4S/c1-24(2)30-19-17-26(5)21-34(30)36-32(28-13-9-7-10-14-28)23-33(29-15-11-8-12-16-29)37(36)35-22-27(6)18-20-31(35)25(3)4;1-5-6(2,3)4/h7-16,23-27,30-31,34-35H,17-22H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1