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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)CC)N

Isomeric SMILES

CCCCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)CC)N

InChI

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