2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)ethanoic acid Openeye Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)acetic acid CAS Name: 2-(2-amino-3-butyl-1-benzimidazol-1-iumyl)acetic acid IUPAC Name: 2-(2-amino-3-butylbenzimidazol-1-ium-1-yl)acetic acid Traditional Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)acetic acid Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)O

Isomeric SMILES

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)O

InChI

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