1-[(4-chlorophenyl)methyl]-3,5-dimethyl-2-(2-methyltridecan-2-yl)pyrazol-1-ium

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3,5-dimethyl-2-(2-methyltridecan-2-yl)pyrazol-1-ium Openeye Name: 1-[(4-chlorophenyl)methyl]-2-(1,1-dimethyldodecyl)-3,5-dimethyl-pyrazol-1-ium CAS Name: 1-[(4-chlorophenyl)methyl]-3,5-dimethyl-2-(2-methyltridecan-2-yl)pyrazol-1-ium IUPAC Name: 1-[(4-chlorophenyl)methyl]-3,5-dimethyl-2-(2-methyltridecan-2-yl)pyrazol-1-ium Traditional Name: 1-(4-chlorobenzyl)-2-(1,1-dimethyldodecyl)-3,5-dimethyl-pyrazol-1-ium Formula: C26H42ClN2+ MolecularWeight: 418.07808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C)(C)N1C(=CC(=[N+]1CC2=CC=C(C=C2)Cl)C)C

Isomeric SMILES

CCCCCCCCCCCC(C)(C)N1C(=CC(=[N+]1CC2=CC=C(C=C2)Cl)C)C

InChI

InChI=1S/C26H42ClN2/c1-6-7-8-9-10-11-12-13-14-19-26(4,5)29-23(3)20-22(2)28(29)21-24-15-17-25(27)18-16-24/h15-18,20H,6-14,19,21H2,1-5H3/q+1