2-(2-azanylidene-3-prop-2-enyl-benzimidazol-1-yl)ethanoic acid; hydron; bromide

Systemtic Name: 2-(2-azanylidene-3-prop-2-enyl-benzimidazol-1-yl)ethanoic acid; hydron; bromide Openeye Name: 2-(3-allyl-2-imino-benzimidazol-1-yl)acetic acid; hydron; bromide CAS Name: hydron; 2-(2-imino-3-prop-2-enyl-1-benzimidazolyl)acetic acid; bromide IUPAC Name: hydron; 2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)acetic acid; bromide Traditional Name: 2-(3-allyl-2-imino-benzimidazol-1-yl)acetic acid; hydron; bromide Formula: C12H14BrN3O2 MolecularWeight: 312.16246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[H+].C=CCN1C2=CC=CC=C2N(C1=N)CC(=O)O.[Br-]

Isomeric SMILES

[H+].C=CCN1C2=CC=CC=C2N(C1=N)CC(=O)O.[Br-]

InChI

InChI=1S/C12H13N3O2.BrH/c1-2-7-14-9-5-3-4-6-10(9)15(12(14)13)8-11(16)17;/h2-6,13H,1,7-8H2,(H,16,17);1H