ethyl 6-[5-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-1,3-dihydroimidazol-4-yl]-6-oxidanylidene-hexanoate

Systemtic Name: ethyl 6-[5-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-1,3-dihydroimidazol-4-yl]-6-oxidanylidene-hexanoate Openeye Name: ethyl 6-[5-(morpholin-4-ium-4-ylmethyl)-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxo-hexanoate CAS Name: 6-[5-(4-morpholin-4-iumylmethyl)-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoic acid ethyl ester IUPAC Name: ethyl 6-[5-(morpholin-4-ium-4-ylmethyl)-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoate Traditional Name: 6-keto-6-[2-keto-5-(morpholin-4-ium-4-ylmethyl)-4-imidazolin-4-yl]hexanoic acid ethyl ester Formula: C16H26N3O5+ MolecularWeight: 340.39474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)C[NH+]2CCOCC2

Isomeric SMILES

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)C[NH+]2CCOCC2

InChI

InChI=1S/C16H25N3O5/c1-2-24-14(21)6-4-3-5-13(20)15-12(17-16(22)18-15)11-19-7-9-23-10-8-19/h2-11H2,1H3,(H2,17,18,22)/p+1