ethyl 2-(2-azanyl-3-ethyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)ethanoate

Systemtic Name: ethyl 2-(2-azanyl-3-ethyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)ethanoate Openeye Name: ethyl 2-(2-amino-3-ethyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)acetate CAS Name: 2-(2-amino-3-ethyl-5,6-dimethyl-1-benzimidazol-1-iumyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(2-amino-3-ethyl-5,6-dimethylbenzimidazol-1-ium-1-yl)acetate Traditional Name: 2-(2-amino-3-ethyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)acetic acid ethyl ester Formula: C15H22N3O2+ MolecularWeight: 276.35408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C(=C2)C)C)[N+](=C1N)CC(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C(=C2)C)C)[N+](=C1N)CC(=O)OCC

InChI

InChI=1S/C15H21N3O2/c1-5-17-12-7-10(3)11(4)8-13(12)18(15(17)16)9-14(19)20-6-2/h7-8,16H,5-6,9H2,1-4H3/p+1