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

Systemtic Name: ethyl 2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)ethanoate bromide Openeye Name: ethyl 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 ethyl ester bromide IUPAC Name: ethyl 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 ethyl ester bromide Formula: C15H22BrN3O2 MolecularWeight: 356.25808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2.BrH/c1-3-5-10-17-12-8-6-7-9-13(12)18(15(17)16)11-14(19)20-4-2;/h6-9,16H,3-5,10-11H2,1-2H3;1H