[(E)-3-(3-bromophenyl)-3-oxidanylidene-prop-1-enyl]-tripropyl-azanium chloride

Systemtic Name: [(E)-3-(3-bromophenyl)-3-oxidanylidene-prop-1-enyl]-tripropyl-azanium chloride Openeye Name: [(E)-3-(3-bromophenyl)-3-oxo-prop-1-enyl]-tripropyl-ammonium chloride CAS Name: [(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]-tripropylammonium chloride IUPAC Name: [(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]-tripropylazanium chloride Traditional Name: [(E)-3-(3-bromophenyl)-3-keto-prop-1-enyl]-tripropyl-ammonium chloride Formula: C18H27BrClNO MolecularWeight: 388.77008

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(CCC)C=CC(=O)C1=CC(=CC=C1)Br.[Cl-]

Isomeric SMILES

CCC[N+](CCC)(CCC)/C=C/C(=O)C1=CC(=CC=C1)Br.[Cl-]

InChI

InChI=1S/C18H27BrNO.ClH/c1-4-11-20(12-5-2,13-6-3)14-10-18(21)16-8-7-9-17(19)15-16;/h7-10,14-15H,4-6,11-13H2,1-3H3;1H/q+1;/p-1/b14-10+;