1,2-dimethyl-4-pentoxy-3,5-diphenyl-pyrazol-2-ium bromide

Systemtic Name: 1,2-dimethyl-4-pentoxy-3,5-diphenyl-pyrazol-2-ium bromide Openeye Name: 1,2-dimethyl-4-pentoxy-3,5-diphenyl-pyrazol-2-ium bromide CAS Name: 1,2-dimethyl-4-pentoxy-3,5-diphenylpyrazol-2-ium bromide IUPAC Name: 1,2-dimethyl-4-pentoxy-3,5-diphenylpyrazol-2-ium bromide Traditional Name: 4-amoxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium bromide Formula: C22H27BrN2O MolecularWeight: 415.36658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCCCOC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C22H27N2O.BrH/c1-4-5-12-17-25-22-20(18-13-8-6-9-14-18)23(2)24(3)21(22)19-15-10-7-11-16-19;/h6-11,13-16H,4-5,12,17H2,1-3H3;1H/q+1;/p-1