1-[(E)-but-2-enyl]-3-(2-ethoxyethyl)benzimidazol-1-ium bromide

Systemtic Name: 1-[(E)-but-2-enyl]-3-(2-ethoxyethyl)benzimidazol-1-ium bromide Openeye Name: 1-[(E)-but-2-enyl]-3-(2-ethoxyethyl)benzimidazol-1-ium bromide CAS Name: 1-[(E)-but-2-enyl]-3-(2-ethoxyethyl)benzimidazol-1-ium bromide IUPAC Name: 1-[(E)-but-2-enyl]-3-(2-ethoxyethyl)benzimidazol-1-ium bromide Traditional Name: 1-[(E)-but-2-enyl]-3-(2-ethoxyethyl)benzimidazol-1-ium bromide Formula: C15H21BrN2O MolecularWeight: 325.24404

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C=[N+](C2=CC=CC=C21)CC=CC.[Br-]

Isomeric SMILES

CCOCCN1C=[N+](C2=CC=CC=C21)C/C=C/C.[Br-]

InChI

InChI=1S/C15H21N2O.BrH/c1-3-5-10-16-13-17(11-12-18-4-2)15-9-7-6-8-14(15)16;/h3,5-9,13H,4,10-12H2,1-2H3;1H/q+1;/p-1/b5-3+;