ethyl 6-[5-[(4-methylpyridin-1-ium-1-yl)methyl]-2-oxidanylidene-1,3-dihydroimidazol-4-yl]-6-oxidanylidene-hexanoate chloride

Systemtic Name: ethyl 6-[5-[(4-methylpyridin-1-ium-1-yl)methyl]-2-oxidanylidene-1,3-dihydroimidazol-4-yl]-6-oxidanylidene-hexanoate chloride Openeye Name: ethyl 6-[5-[(4-methylpyridin-1-ium-1-yl)methyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxo-hexanoate chloride CAS Name: 6-[5-[(4-methyl-1-pyridin-1-iumyl)methyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoic acid ethyl ester chloride IUPAC Name: ethyl 6-[5-[(4-methylpyridin-1-ium-1-yl)methyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoate chloride Traditional Name: 6-keto-6-[2-keto-5-[(4-methylpyridin-1-ium-1-yl)methyl]-4-imidazolin-4-yl]hexanoic acid ethyl ester chloride Formula: C18H24ClN3O4 MolecularWeight: 381.85386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4.ClH/c1-3-25-16(23)7-5-4-6-15(22)17-14(19-18(24)20-17)12-21-10-8-13(2)9-11-21;/h8-11H,3-7,12H2,1-2H3,(H-,19,20,22,24);1H