1,2-dimethyl-4-pentyl-3,5-diphenyl-pyrazol-1-ium

Systemtic Name: 1,2-dimethyl-4-pentyl-3,5-diphenyl-pyrazol-1-ium Openeye Name: 1,2-dimethyl-4-pentyl-3,5-diphenyl-pyrazol-1-ium CAS Name: 1,2-dimethyl-4-pentyl-3,5-diphenylpyrazol-1-ium IUPAC Name: 1,2-dimethyl-4-pentyl-3,5-diphenylpyrazol-1-ium Traditional Name: 4-amyl-1,2-dimethyl-3,5-diphenyl-pyrazol-1-ium Formula: C22H27N2+ MolecularWeight: 319.46318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H27N2/c1-4-5-8-17-20-21(18-13-9-6-10-14-18)23(2)24(3)22(20)19-15-11-7-12-16-19/h6-7,9-16H,4-5,8,17H2,1-3H3/q+1