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

Systemtic Name: methyl 2-(2-azanyl-3-propyl-benzimidazol-1-ium-1-yl)ethanoate bromide Openeye Name: methyl 2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)acetate bromide CAS Name: 2-(2-amino-3-propyl-1-benzimidazol-1-iumyl)acetic acid methyl ester bromide IUPAC Name: methyl 2-(2-amino-3-propylbenzimidazol-1-ium-1-yl)acetate bromide Traditional Name: 2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)acetic acid methyl ester bromide Formula: C13H18BrN3O2 MolecularWeight: 328.20492

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)OC.[Br-]

Isomeric SMILES

CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)OC.[Br-]

InChI

InChI=1S/C13H17N3O2.BrH/c1-3-8-15-10-6-4-5-7-11(10)16(13(15)14)9-12(17)18-2;/h4-7,14H,3,8-9H2,1-2H3;1H