2-[4-azanyl-2,6-bis(bromanyl)phenoxy]ethyl-but-3-enyl-diethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: 2-[4-azanyl-2,6-bis(bromanyl)phenoxy]ethyl-but-3-enyl-diethyl-azanium; 4-methylbenzenesulfonate Openeye Name: 2-(4-amino-2,6-dibromo-phenoxy)ethyl-but-3-enyl-diethyl-ammonium; 4-methylbenzenesulfonate CAS Name: 2-(4-amino-2,6-dibromophenoxy)ethyl-but-3-enyl-diethylammonium; 4-methylbenzenesulfonate IUPAC Name: 2-(4-amino-2,6-dibromophenoxy)ethyl-but-3-enyl-diethylazanium; 4-methylbenzenesulfonate Traditional Name: 2-(4-amino-2,6-dibromo-phenoxy)ethyl-but-3-enyl-diethyl-ammonium tosylate Formula: C23H32Br2N2O4S MolecularWeight: 592.38418

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCC=C)CCOC1=C(C=C(C=C1Br)N)Br.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+](CC)(CCC=C)CCOC1=C(C=C(C=C1Br)N)Br.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C16H25Br2N2O.C7H8O3S/c1-4-7-8-20(5-2,6-3)9-10-21-16-14(17)11-13(19)12-15(16)18;1-6-2-4-7(5-3-6)11(8,9)10/h4,11-12H,1,5-10,19H2,2-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1