ethyl (2S)-2-(benzotriazol-1-yl)-2-morpholin-4-ium-4-yl-ethanoate

Systemtic Name: ethyl (2S)-2-(benzotriazol-1-yl)-2-morpholin-4-ium-4-yl-ethanoate Openeye Name: ethyl (2S)-2-(benzotriazol-1-yl)-2-morpholin-4-ium-4-yl-acetate CAS Name: (2S)-2-(1-benzotriazolyl)-2-(4-morpholin-4-iumyl)acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(benzotriazol-1-yl)-2-morpholin-4-ium-4-ylacetate Traditional Name: (2S)-2-(benzotriazol-1-yl)-2-morpholin-4-ium-4-yl-acetic acid ethyl ester Formula: C14H19N4O3+ MolecularWeight: 291.32566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C([NH+]1CCOCC1)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=O)[C@@H]([NH+]1CCOCC1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C14H18N4O3/c1-2-21-14(19)13(17-7-9-20-10-8-17)18-12-6-4-3-5-11(12)15-16-18/h3-6,13H,2,7-10H2,1H3/p+1/t13-/m0/s1