2-(6-methoxynaphthalen-2-yl)propanoic acid; trimethyl(2-sulfanylethyl)azanium; bromide

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)propanoic acid; trimethyl(2-sulfanylethyl)azanium; bromide Openeye Name: 2-(6-methoxy-2-naphthyl)propanoic acid; trimethyl(2-sulfanylethyl)ammonium; bromide CAS Name: 2-mercaptoethyl(trimethyl)ammonium; 2-(6-methoxy-2-naphthalenyl)propanoic acid; bromide IUPAC Name: 2-(6-methoxynaphthalen-2-yl)propanoic acid; trimethyl(2-sulfanylethyl)azanium; bromide Traditional Name: 2-mercaptoethyl(trimethyl)ammonium; 2-(6-methoxy-2-naphthyl)propionic acid; bromide Formula: C19H28BrNO3S MolecularWeight: 430.39952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O.C[N+](C)(C)CCS.[Br-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O.C[N+](C)(C)CCS.[Br-]

InChI

InChI=1S/C14H14O3.C5H13NS.BrH/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;1-6(2,3)4-5-7;/h3-9H,1-2H3,(H,15,16);4-5H2,1-3H3;1H