2-[4-azanyl-2,6-bis(bromanyl)phenoxy]ethyl-dimethyl-prop-2-enyl-azanium; methanesulfonate

Systemtic Name: 2-[4-azanyl-2,6-bis(bromanyl)phenoxy]ethyl-dimethyl-prop-2-enyl-azanium; methanesulfonate Openeye Name: allyl-[2-(4-amino-2,6-dibromo-phenoxy)ethyl]-dimethyl-ammonium; methanesulfonate CAS Name: 2-(4-amino-2,6-dibromophenoxy)ethyl-dimethyl-prop-2-enylammonium; methanesulfonate IUPAC Name: 2-(4-amino-2,6-dibromophenoxy)ethyl-dimethyl-prop-2-enylazanium; methanesulfonate Traditional Name: allyl-[2-(4-amino-2,6-dibromo-phenoxy)ethyl]-dimethyl-ammonium mesylate Formula: C14H22Br2N2O4S MolecularWeight: 474.20848

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCOC1=C(C=C(C=C1Br)N)Br)CC=C.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(CCOC1=C(C=C(C=C1Br)N)Br)CC=C.CS(=O)(=O)[O-]

InChI

InChI=1S/C13H19Br2N2O.CH4O3S/c1-4-5-17(2,3)6-7-18-13-11(14)8-10(16)9-12(13)15;1-5(2,3)4/h4,8-9H,1,5-7,16H2,2-3H3;1H3,(H,2,3,4)/q+1;/p-1