2-[4-(2-methylpropyl)phenyl]propanoate; trimethyl(2-sulfanylethyl)azanium

Systemtic Name: 2-[4-(2-methylpropyl)phenyl]propanoate; trimethyl(2-sulfanylethyl)azanium Openeye Name: 2-(4-isobutylphenyl)propanoate; trimethyl(2-sulfanylethyl)ammonium CAS Name: 2-mercaptoethyl(trimethyl)ammonium; 2-[4-(2-methylpropyl)phenyl]propanoate IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoate; trimethyl(2-sulfanylethyl)azanium Traditional Name: 2-(4-isobutylphenyl)propionate; 2-mercaptoethyl(trimethyl)ammonium Formula: C18H31NO2S MolecularWeight: 325.50924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].C[N+](C)(C)CCS

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].C[N+](C)(C)CCS

InChI

InChI=1S/C13H18O2.C5H13NS/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;1-6(2,3)4-5-7/h4-7,9-10H,8H2,1-3H3,(H,14,15);4-5H2,1-3H3