dodecan-5-yl-ethyl-methyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: dodecan-5-yl-ethyl-methyl-azanium; 4-methylbenzenesulfonate Openeye Name: 1-butyloctyl-ethyl-methyl-ammonium; 4-methylbenzenesulfonate CAS Name: dodecan-5-yl-ethyl-methylammonium; 4-methylbenzenesulfonate IUPAC Name: dodecan-5-yl-ethyl-methylazanium; 4-methylbenzenesulfonate Traditional Name: 1-butyloctyl-ethyl-methyl-ammonium tosylate Formula: C22H41NO3S MolecularWeight: 399.63084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCC)[NH+](C)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC(CCCC)[NH+](C)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C15H33N.C7H8O3S/c1-5-8-10-11-12-14-15(13-9-6-2)16(4)7-3;1-6-2-4-7(5-3-6)11(8,9)10/h15H,5-14H2,1-4H3;2-5H,1H3,(H,8,9,10)