2-methyl-3-prop-2-ynyl-benzimidazol-3-ium-1-amine bromide

Systemtic Name: 2-methyl-3-prop-2-ynyl-benzimidazol-3-ium-1-amine bromide Openeye Name: 2-methyl-3-prop-2-ynyl-benzimidazol-3-ium-1-amine bromide CAS Name: 2-methyl-3-prop-2-ynyl-1-benzimidazol-3-iumamine bromide IUPAC Name: 2-methyl-3-prop-2-ynylbenzimidazol-3-ium-1-amine bromide Traditional Name: (2-methyl-3-propargyl-benzimidazol-3-ium-1-yl)amine bromide Formula: C11H12BrN3 MolecularWeight: 266.13708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1N)CC#C.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1N)CC#C.[Br-]

InChI

InChI=1S/C11H12N3.BrH/c1-3-8-13-9(2)14(12)11-7-5-4-6-10(11)13;/h1,4-7H,8,12H2,2H3;1H/q+1;/p-1