ethyl (2R)-2-(benzotriazol-1-ylmethyl)-3-morpholin-4-ium-4-yl-propanoate

Systemtic Name: ethyl (2R)-2-(benzotriazol-1-ylmethyl)-3-morpholin-4-ium-4-yl-propanoate Openeye Name: ethyl (2R)-2-(benzotriazol-1-ylmethyl)-3-morpholin-4-ium-4-yl-propanoate CAS Name: (2R)-2-(1-benzotriazolylmethyl)-3-(4-morpholin-4-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-(benzotriazol-1-ylmethyl)-3-morpholin-4-ium-4-ylpropanoate Traditional Name: (2R)-2-(benzotriazol-1-ylmethyl)-3-morpholin-4-ium-4-yl-propionic acid ethyl ester Formula: C16H23N4O3+ MolecularWeight: 319.37882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[NH+]1CCOCC1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=O)[C@H](C[NH+]1CCOCC1)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H22N4O3/c1-2-23-16(21)13(11-19-7-9-22-10-8-19)12-20-15-6-4-3-5-14(15)17-18-20/h3-6,13H,2,7-12H2,1H3/p+1/t13-/m1/s1