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

Systemtic Name: ethyl (2R)-2-(benzotriazol-1-ylmethyl)-3-piperidin-1-ium-1-yl-propanoate Openeye Name: ethyl (2R)-2-(benzotriazol-1-ylmethyl)-3-piperidin-1-ium-1-yl-propanoate CAS Name: (2R)-2-(1-benzotriazolylmethyl)-3-(1-piperidin-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-(benzotriazol-1-ylmethyl)-3-piperidin-1-ium-1-ylpropanoate Traditional Name: (2R)-2-(benzotriazol-1-ylmethyl)-3-piperidin-1-ium-1-yl-propionic acid ethyl ester Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[NH+]1CCCCC1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=O)[C@H](C[NH+]1CCCCC1)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H24N4O2/c1-2-23-17(22)14(12-20-10-6-3-7-11-20)13-21-16-9-5-4-8-15(16)18-19-21/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3/p+1/t14-/m1/s1