ethyl (2R)-2-(benzotriazol-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ium-1-yl-propanoate

Systemtic Name: ethyl (2R)-2-(benzotriazol-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ium-1-yl-propanoate Openeye Name: ethyl (2R)-2-(benzotriazol-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ium-1-yl-propanoate CAS Name: (2R)-2-(1-benzotriazolylmethyl)-2-methyl-3-(1-pyrrolidin-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-(benzotriazol-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ium-1-ylpropanoate Traditional Name: (2R)-2-(benzotriazol-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ium-1-yl-propionic acid ethyl ester Formula: C17H25N4O2+ MolecularWeight: 317.406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C[NH+]1CCCC1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=O)[C@](C)(C[NH+]1CCCC1)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H24N4O2/c1-3-23-16(22)17(2,12-20-10-6-7-11-20)13-21-15-9-5-4-8-14(15)18-19-21/h4-5,8-9H,3,6-7,10-13H2,1-2H3/p+1/t17-/m1/s1