ethyl 2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)ethanoate bromide

Systemtic Name: ethyl 2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)ethanoate bromide Openeye Name: ethyl 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)acetate bromide CAS Name: 2-(2-amino-3-prop-2-enyl-1-benzimidazol-1-iumyl)acetic acid ethyl ester bromide IUPAC Name: ethyl 2-(2-amino-3-prop-2-enylbenzimidazol-1-ium-1-yl)acetate bromide Traditional Name: 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)acetic acid ethyl ester bromide Formula: C14H18BrN3O2 MolecularWeight: 340.21562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)CC=C)N.[Br-]

Isomeric SMILES

CCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)CC=C)N.[Br-]

InChI

InChI=1S/C14H17N3O2.BrH/c1-3-9-16-11-7-5-6-8-12(11)17(14(16)15)10-13(18)19-4-2;/h3,5-8,15H,1,4,9-10H2,2H3;1H