ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylquinolin-1-ium-3-yl)propanoate iodide

Systemtic Name: ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylquinolin-1-ium-3-yl)propanoate iodide Openeye Name: ethyl 2-(tert-butoxycarbonylamino)-3-(1-methylquinolin-1-ium-3-yl)propanoate iodide CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(1-methyl-3-quinolin-1-iumyl)propanoic acid ethyl ester iodide IUPAC Name: ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylquinolin-1-ium-3-yl)propanoate iodide Traditional Name: 2-(tert-butoxycarbonylamino)-3-(1-methylquinolin-1-ium-3-yl)propionic acid ethyl ester iodide Formula: C20H27IN2O4 MolecularWeight: 486.34385

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=CC=CC=C2[N+](=C1)C)NC(=O)OC(C)(C)C.[I-]

Isomeric SMILES

CCOC(=O)C(CC1=CC2=CC=CC=C2[N+](=C1)C)NC(=O)OC(C)(C)C.[I-]

InChI

InChI=1S/C20H26N2O4.HI/c1-6-25-18(23)16(21-19(24)26-20(2,3)4)12-14-11-15-9-7-8-10-17(15)22(5)13-14;/h7-11,13,16H,6,12H2,1-5H3;1H