[(Z)-4-(2-bromophenyl)-3-methyl-but-2-enyl]-(carboxymethyl)-diethyl-azanium; 1-chloranylhexane

Systemtic Name: [(Z)-4-(2-bromophenyl)-3-methyl-but-2-enyl]-(carboxymethyl)-diethyl-azanium; 1-chloranylhexane Openeye Name: [(Z)-4-(2-bromophenyl)-3-methyl-but-2-enyl]-(carboxymethyl)-diethyl-ammonium; 1-chlorohexane CAS Name: [(Z)-4-(2-bromophenyl)-3-methylbut-2-enyl]-(carboxymethyl)-diethylammonium; 1-chlorohexane IUPAC Name: [(Z)-4-(2-bromophenyl)-3-methylbut-2-enyl]-(carboxymethyl)-diethylazanium; 1-chlorohexane Traditional Name: [(Z)-4-(2-bromophenyl)-3-methyl-but-2-enyl]-(carboxymethyl)-diethyl-ammonium; 1-chlorohexane Formula: C23H38BrClNO2+ MolecularWeight: 475.91032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCl.CC[N+](CC)(CC=C(C)CC1=CC=CC=C1Br)CC(=O)O

Isomeric SMILES

CCCCCCCl.CC[N+](CC)(C/C=C(/C)\CC1=CC=CC=C1Br)CC(=O)O

InChI

InChI=1S/C17H24BrNO2.C6H13Cl/c1-4-19(5-2,13-17(20)21)11-10-14(3)12-15-8-6-7-9-16(15)18;1-2-3-4-5-6-7/h6-10H,4-5,11-13H2,1-3H3;2-6H2,1H3/p+1/b14-10-;