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

Systemtic Name: ethyl 6-oxidanylidene-6-[2-oxidanylidene-5-(pyridin-1-ium-1-ylmethyl)-1,3-dihydroimidazol-4-yl]hexanoate Openeye Name: ethyl 6-oxo-6-[2-oxo-5-(pyridin-1-ium-1-ylmethyl)-1,3-dihydroimidazol-4-yl]hexanoate CAS Name: 6-oxo-6-[2-oxo-5-(1-pyridin-1-iumylmethyl)-1,3-dihydroimidazol-4-yl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-oxo-6-[2-oxo-5-(pyridin-1-ium-1-ylmethyl)-1,3-dihydroimidazol-4-yl]hexanoate Traditional Name: 6-keto-6-[2-keto-5-(pyridin-1-ium-1-ylmethyl)-4-imidazolin-4-yl]hexanoic acid ethyl ester Formula: C17H22N3O4+ MolecularWeight: 332.37428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)C[N+]2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)C[N+]2=CC=CC=C2

InChI

InChI=1S/C17H21N3O4/c1-2-24-15(22)9-5-4-8-14(21)16-13(18-17(23)19-16)12-20-10-6-3-7-11-20/h3,6-7,10-11H,2,4-5,8-9,12H2,1H3,(H-,18,19,21,23)/p+1