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

Systemtic Name: ethyl (2R)-2-(benzotriazol-1-ylmethyl)-3-pyrrolidin-1-ium-1-yl-propanoate Openeye Name: ethyl (2R)-2-(benzotriazol-1-ylmethyl)-3-pyrrolidin-1-ium-1-yl-propanoate CAS Name: (2R)-2-(1-benzotriazolylmethyl)-3-(1-pyrrolidin-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-(benzotriazol-1-ylmethyl)-3-pyrrolidin-1-ium-1-ylpropanoate Traditional Name: (2R)-2-(benzotriazol-1-ylmethyl)-3-pyrrolidin-1-ium-1-yl-propionic acid ethyl ester Formula: C16H23N4O2+ MolecularWeight: 303.37942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2/c1-2-22-16(21)13(11-19-9-5-6-10-19)12-20-15-8-4-3-7-14(15)17-18-20/h3-4,7-8,13H,2,5-6,9-12H2,1H3/p+1/t13-/m1/s1