4-butoxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; hydrogen phosphate

Systemtic Name: 4-butoxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; hydrogen phosphate Openeye Name: 4-butoxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; hydrogen phosphate CAS Name: 4-butoxy-1,2-dimethyl-3,5-diphenylpyrazol-2-ium; hydrogen phosphate IUPAC Name: 4-butoxy-1,2-dimethyl-3,5-diphenylpyrazol-2-ium; hydrogen phosphate Traditional Name: 4-butoxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; hydrogen phosphate Formula: C42H51N4O6P MolecularWeight: 738.851301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3.CCCCOC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3.OP(=O)([O-])[O-]

Isomeric SMILES

CCCCOC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3.CCCCOC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3.OP(=O)([O-])[O-]

InChI

InChI=1S/2C21H25N2O.H3O4P/c2*1-4-5-16-24-21-19(17-12-8-6-9-13-17)22(2)23(3)20(21)18-14-10-7-11-15-18;1-5(2,3)4/h2*6-15H,4-5,16H2,1-3H3;(H3,1,2,3,4)/q2*+1;/p-2