ethyl 3-(1-methyl-6-oxidanyl-quinolin-1-ium-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate iodide

Systemtic Name: ethyl 3-(1-methyl-6-oxidanyl-quinolin-1-ium-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate iodide Openeye Name: ethyl 2-(tert-butoxycarbonylamino)-3-(6-hydroxy-1-methyl-quinolin-1-ium-3-yl)propanoate iodide CAS Name: 3-(6-hydroxy-1-methyl-3-quinolin-1-iumyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid ethyl ester iodide IUPAC Name: ethyl 3-(6-hydroxy-1-methylquinolin-1-ium-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate iodide Traditional Name: 2-(tert-butoxycarbonylamino)-3-(6-hydroxy-1-methyl-quinolin-1-ium-3-yl)propionic acid ethyl ester iodide Formula: C20H27IN2O5 MolecularWeight: 502.34325

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C[N+](=C2C=CC(=CC2=C1)O)C)NC(=O)OC(C)(C)C.[I-]

Isomeric SMILES

CCOC(=O)C(CC1=C[N+](=C2C=CC(=CC2=C1)O)C)NC(=O)OC(C)(C)C.[I-]

InChI

InChI=1S/C20H26N2O5.HI/c1-6-26-18(24)16(21-19(25)27-20(2,3)4)10-13-9-14-11-15(23)7-8-17(14)22(5)12-13;/h7-9,11-12,16H,6,10H2,1-5H3,(H-,21,23,25);1H