4-butoxy-1,2-dimethyl-1,5-diphenyl-3H-pyrazol-1-ium

Systemtic Name: 4-butoxy-1,2-dimethyl-1,5-diphenyl-3H-pyrazol-1-ium Openeye Name: 4-butoxy-1,2-dimethyl-1,5-diphenyl-3H-pyrazol-1-ium CAS Name: 4-butoxy-1,2-dimethyl-1,5-diphenyl-3H-pyrazol-1-ium IUPAC Name: 4-butoxy-1,2-dimethyl-1,5-diphenyl-3H-pyrazol-1-ium Traditional Name: 4-butoxy-1,2-dimethyl-1,5-diphenyl-3-pyrazolin-1-ium Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C([N+](N(C1)C)(C)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=C([N+](N(C1)C)(C)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N2O/c1-4-5-16-24-20-17-22(2)23(3,19-14-10-7-11-15-19)21(20)18-12-8-6-9-13-18/h6-15H,4-5,16-17H2,1-3H3/q+1