(4-dodecyl-2,3-diethyl-phenyl)azanium; methanesulfonate

Systemtic Name: (4-dodecyl-2,3-diethyl-phenyl)azanium; methanesulfonate Openeye Name: (4-dodecyl-2,3-diethyl-phenyl)ammonium; methanesulfonate CAS Name: (4-dodecyl-2,3-diethylphenyl)ammonium; methanesulfonate IUPAC Name: (4-dodecyl-2,3-diethylphenyl)azanium; methanesulfonate Traditional Name: (2,3-diethyl-4-lauryl-phenyl)ammonium mesylate Formula: C23H43NO3S MolecularWeight: 413.65742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=C(C=C1)[NH3+])CC)CC.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=C(C=C1)[NH3+])CC)CC.CS(=O)(=O)[O-]

InChI

InChI=1S/C22H39N.CH4O3S/c1-4-7-8-9-10-11-12-13-14-15-16-19-17-18-22(23)21(6-3)20(19)5-2;1-5(2,3)4/h17-18H,4-16,23H2,1-3H3;1H3,(H,2,3,4)