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

Systemtic Name: ethyl (2R)-2-(benzotriazol-1-ylmethyl)-2-methyl-3-morpholin-4-ium-4-yl-propanoate Openeye Name: ethyl (2R)-2-(benzotriazol-1-ylmethyl)-2-methyl-3-morpholin-4-ium-4-yl-propanoate CAS Name: (2R)-2-(1-benzotriazolylmethyl)-2-methyl-3-(4-morpholin-4-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-(benzotriazol-1-ylmethyl)-2-methyl-3-morpholin-4-ium-4-ylpropanoate Traditional Name: (2R)-2-(benzotriazol-1-ylmethyl)-2-methyl-3-morpholin-4-ium-4-yl-propionic acid ethyl ester Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O3/c1-3-24-16(22)17(2,12-20-8-10-23-11-9-20)13-21-15-7-5-4-6-14(15)18-19-21/h4-7H,3,8-13H2,1-2H3/p+1/t17-/m1/s1