3-(3-butan-2-ylbenzimidazol-1-ium-1-yl)propanenitrile bromide

Systemtic Name: 3-(3-butan-2-ylbenzimidazol-1-ium-1-yl)propanenitrile bromide Openeye Name: 3-(3-sec-butylbenzimidazol-1-ium-1-yl)propanenitrile bromide CAS Name: 3-(3-butan-2-yl-1-benzimidazol-1-iumyl)propanenitrile bromide IUPAC Name: 3-(3-butan-2-ylbenzimidazol-1-ium-1-yl)propanenitrile bromide Traditional Name: 3-(3-sec-butylbenzimidazol-1-ium-1-yl)propionitrile bromide Formula: C14H18BrN3 MolecularWeight: 308.21682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=[N+](C2=CC=CC=C21)CCC#N.[Br-]

Isomeric SMILES

CCC(C)N1C=[N+](C2=CC=CC=C21)CCC#N.[Br-]

InChI

InChI=1S/C14H18N3.BrH/c1-3-12(2)17-11-16(10-6-9-15)13-7-4-5-8-14(13)17;/h4-5,7-8,11-12H,3,6,10H2,1-2H3;1H/q+1;/p-1