diethyl 2-methyl-4-[2-[4-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]-4-oxidanylidene-butoxy]phenyl]-3-propyl-4H-imidazole-5,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-4-[2-[4-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]-4-oxidanylidene-butoxy]phenyl]-3-propyl-4H-imidazole-5,5-dicarboxylate Openeye Name: diethyl 2-methyl-4-[2-[4-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]-4-oxo-butoxy]phenyl]-3-propyl-4H-imidazole-5,5-dicarboxylate CAS Name: 2-methyl-4-[2-[4-[2-(3-methyl-1-imidazol-3-iumyl)ethoxy]-4-oxobutoxy]phenyl]-3-propyl-4H-imidazole-5,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-4-[2-[4-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]-4-oxobutoxy]phenyl]-3-propyl-4H-imidazole-5,5-dicarboxylate Traditional Name: 5-[2-[4-keto-4-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]butoxy]phenyl]-2-methyl-1-propyl-2-imidazoline-4,4-dicarboxylic acid diethyl ester Formula: C29H41N4O7+ MolecularWeight: 557.65844

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(N=C1C)(C(=O)OCC)C(=O)OCC)C2=CC=CC=C2OCCCC(=O)OCCN3C=C[N+](=C3)C

Isomeric SMILES

CCCN1C(C(N=C1C)(C(=O)OCC)C(=O)OCC)C2=CC=CC=C2OCCCC(=O)OCCN3C=C[N+](=C3)C

InChI

InChI=1S/C29H41N4O7/c1-6-15-33-22(4)30-29(27(35)37-7-2,28(36)38-8-3)26(33)23-12-9-10-13-24(23)39-19-11-14-25(34)40-20-18-32-17-16-31(5)21-32/h9-10,12-13,16-17,21,26H,6-8,11,14-15,18-20H2,1-5H3/q+1