ethyl (2R,3S)-3-(benzotriazol-1-yl)-2-(morpholin-4-ium-4-ylmethyl)butanoate

Systemtic Name: ethyl (2R,3S)-3-(benzotriazol-1-yl)-2-(morpholin-4-ium-4-ylmethyl)butanoate Openeye Name: ethyl (2R,3S)-3-(benzotriazol-1-yl)-2-(morpholin-4-ium-4-ylmethyl)butanoate CAS Name: (2R,3S)-3-(1-benzotriazolyl)-2-(4-morpholin-4-iumylmethyl)butanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-3-(benzotriazol-1-yl)-2-(morpholin-4-ium-4-ylmethyl)butanoate Traditional Name: (2R,3S)-3-(benzotriazol-1-yl)-2-(morpholin-4-ium-4-ylmethyl)butyric acid ethyl ester Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O3/c1-3-24-17(22)14(12-20-8-10-23-11-9-20)13(2)21-16-7-5-4-6-15(16)18-19-21/h4-7,13-14H,3,8-12H2,1-2H3/p+1/t13-,14+/m0/s1