4-methylbenzenesulfonate; 1-methyl-2-tetradecyl-pyrazol-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-2-tetradecyl-pyrazol-1-ium Openeye Name: 4-methylbenzenesulfonate; 1-methyl-2-tetradecyl-pyrazol-1-ium CAS Name: 4-methylbenzenesulfonate; 1-methyl-2-tetradecylpyrazol-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-2-tetradecylpyrazol-1-ium Traditional Name: 1-methyl-2-myristyl-pyrazol-1-ium tosylate Formula: C25H42N2O3S MolecularWeight: 450.67758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN1C=CC=[N+]1C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCN1C=CC=[N+]1C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C18H35N2.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19(20)2;1-6-2-4-7(5-3-6)11(8,9)10/h15-16,18H,3-14,17H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1