diethyl-[3-[(4-methoxycarbonyl-3-oxidanyl-phenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium iodide

Systemtic Name: diethyl-[3-[(4-methoxycarbonyl-3-oxidanyl-phenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium iodide Openeye Name: diethyl-[3-(3-hydroxy-4-methoxycarbonyl-anilino)-3-oxo-propyl]-methyl-ammonium iodide CAS Name: diethyl-[3-(3-hydroxy-4-methoxycarbonylanilino)-3-oxopropyl]-methylammonium iodide IUPAC Name: diethyl-[3-(3-hydroxy-4-methoxycarbonylanilino)-3-oxopropyl]-methylazanium iodide Traditional Name: [3-(4-carbomethoxy-3-hydroxy-anilino)-3-keto-propyl]-diethyl-methyl-ammonium iodide Formula: C16H25IN2O4 MolecularWeight: 436.28517

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCC(=O)NC1=CC(=C(C=C1)C(=O)OC)O.[I-]

Isomeric SMILES

CC[N+](C)(CC)CCC(=O)NC1=CC(=C(C=C1)C(=O)OC)O.[I-]

InChI

InChI=1S/C16H24N2O4.HI/c1-5-18(3,6-2)10-9-15(20)17-12-7-8-13(14(19)11-12)16(21)22-4;/h7-8,11H,5-6,9-10H2,1-4H3,(H-,17,19,20,21);1H