ethyl (2R)-2-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ium-4-yl-ethanoate

Systemtic Name: ethyl (2R)-2-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ium-4-yl-ethanoate Openeye Name: ethyl (2R)-2-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ium-4-yl-acetate CAS Name: (2R)-2-(2-methyl-1-benzimidazolyl)-2-(4-morpholin-4-iumyl)acetic acid ethyl ester IUPAC Name: ethyl (2R)-2-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ium-4-ylacetate Traditional Name: (2R)-2-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ium-4-yl-acetic acid ethyl ester Formula: C16H22N3O3+ MolecularWeight: 304.36418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C([NH+]1CCOCC1)N2C(=NC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)[C@@H]([NH+]1CCOCC1)N2C(=NC3=CC=CC=C32)C

InChI

InChI=1S/C16H21N3O3/c1-3-22-16(20)15(18-8-10-21-11-9-18)19-12(2)17-13-6-4-5-7-14(13)19/h4-7,15H,3,8-11H2,1-2H3/p+1/t15-/m0/s1