2-hydroxyethyl-methyl-[(2-methylphenyl)methyl]-prop-2-enyl-azanium bromide

Systemtic Name: 2-hydroxyethyl-methyl-[(2-methylphenyl)methyl]-prop-2-enyl-azanium bromide Openeye Name: allyl-(2-hydroxyethyl)-methyl-(o-tolylmethyl)ammonium bromide CAS Name: 2-hydroxyethyl-methyl-[(2-methylphenyl)methyl]-prop-2-enylammonium bromide IUPAC Name: 2-hydroxyethyl-methyl-[(2-methylphenyl)methyl]-prop-2-enylazanium bromide Traditional Name: allyl-(2-hydroxyethyl)-methyl-(2-methylbenzyl)ammonium bromide Formula: C14H22BrNO MolecularWeight: 300.23458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[N+](C)(CCO)CC=C.[Br-]

Isomeric SMILES

CC1=CC=CC=C1C[N+](C)(CCO)CC=C.[Br-]

InChI

InChI=1S/C14H22NO.BrH/c1-4-9-15(3,10-11-16)12-14-8-6-5-7-13(14)2;/h4-8,16H,1,9-12H2,2-3H3;1H/q+1;/p-1