(3-hydroxyphenyl)-trimethyl-azanium; 4-methylbenzoate; bromide

Systemtic Name: (3-hydroxyphenyl)-trimethyl-azanium; 4-methylbenzoate; bromide Openeye Name: (3-hydroxyphenyl)-trimethyl-ammonium; 4-methylbenzoate; bromide CAS Name: (3-hydroxyphenyl)-trimethylammonium; 4-methylbenzoate; bromide IUPAC Name: (3-hydroxyphenyl)-trimethylazanium; 4-methylbenzoate; bromide Traditional Name: (3-hydroxyphenyl)-trimethyl-ammonium; 4-methylbenzoate; bromide Formula: C17H21BrNO3- MolecularWeight: 367.25754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO.C8H8O2.BrH/c1-10(2,3)8-5-4-6-9(11)7-8;1-6-2-4-7(5-3-6)8(9)10;/h4-7H,1-3H3;2-5H,1H3,(H,9,10);1H/p-1