methyl 2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)ethanoate bromide

Systemtic Name: methyl 2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)ethanoate bromide Openeye Name: methyl 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)acetate bromide CAS Name: 2-(2-amino-3-butyl-1-benzimidazol-1-iumyl)acetic acid methyl ester bromide IUPAC Name: methyl 2-(2-amino-3-butylbenzimidazol-1-ium-1-yl)acetate bromide Traditional Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)acetic acid methyl ester bromide Formula: C14H20BrN3O2 MolecularWeight: 342.2315

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)OC.[Br-]

Isomeric SMILES

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)OC.[Br-]

InChI

InChI=1S/C14H19N3O2.BrH/c1-3-4-9-16-11-7-5-6-8-12(11)17(14(16)15)10-13(18)19-2;/h5-8,15H,3-4,9-10H2,1-2H3;1H