1,2-dimethyl-3-(3-pentoxyphenyl)-5-phenyl-pyrazol-2-ium

Systemtic Name: 1,2-dimethyl-3-(3-pentoxyphenyl)-5-phenyl-pyrazol-2-ium Openeye Name: 1,2-dimethyl-3-(3-pentoxyphenyl)-5-phenyl-pyrazol-2-ium CAS Name: 1,2-dimethyl-3-(3-pentoxyphenyl)-5-phenylpyrazol-2-ium IUPAC Name: 1,2-dimethyl-3-(3-pentoxyphenyl)-5-phenylpyrazol-2-ium Traditional Name: 3-(3-amoxyphenyl)-1,2-dimethyl-5-phenyl-pyrazol-2-ium Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C2=[N+](N(C(=C2)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C2=[N+](N(C(=C2)C3=CC=CC=C3)C)C

InChI

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