[(E)-4-(2-bromophenyl)-3-methyl-but-2-enyl]-diethyl-(2-heptoxy-2-oxidanylidene-ethyl)azanium chloride

Systemtic Name: [(E)-4-(2-bromophenyl)-3-methyl-but-2-enyl]-diethyl-(2-heptoxy-2-oxidanylidene-ethyl)azanium chloride Openeye Name: [(E)-4-(2-bromophenyl)-3-methyl-but-2-enyl]-diethyl-(2-heptoxy-2-oxo-ethyl)ammonium chloride CAS Name: [(E)-4-(2-bromophenyl)-3-methylbut-2-enyl]-diethyl-(2-heptoxy-2-oxoethyl)ammonium chloride IUPAC Name: [(E)-4-(2-bromophenyl)-3-methylbut-2-enyl]-diethyl-(2-heptoxy-2-oxoethyl)azanium chloride Traditional Name: [(E)-4-(2-bromophenyl)-3-methyl-but-2-enyl]-diethyl-(2-heptoxy-2-keto-ethyl)ammonium chloride Formula: C24H39BrClNO2 MolecularWeight: 488.92896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C[N+](CC)(CC)CC=C(C)CC1=CC=CC=C1Br.[Cl-]

Isomeric SMILES

CCCCCCCOC(=O)C[N+](CC)(CC)C/C=C(\C)/CC1=CC=CC=C1Br.[Cl-]

InChI

InChI=1S/C24H39BrNO2.ClH/c1-5-8-9-10-13-18-28-24(27)20-26(6-2,7-3)17-16-21(4)19-22-14-11-12-15-23(22)25;/h11-12,14-16H,5-10,13,17-20H2,1-4H3;1H/q+1;/p-1/b21-16+;