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

Systemtic Name: ethyl 2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)ethanoate Openeye Name: ethyl 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)acetate CAS Name: 2-(2-amino-3-butyl-1-benzimidazol-1-iumyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(2-amino-3-butylbenzimidazol-1-ium-1-yl)acetate Traditional Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)acetic acid ethyl ester Formula: C15H22N3O2+ MolecularWeight: 276.35408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2/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/p+1