6-[[2-[[2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-2,3,4,5-tetrahydropyridin-1-ium-6-yl]amino]phenyl]amino]-6-oxidanylidene-hexanoate

Systemtic Name: 6-[[2-[[2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-2,3,4,5-tetrahydropyridin-1-ium-6-yl]amino]phenyl]amino]-6-oxidanylidene-hexanoate Openeye Name: 6-oxo-6-[2-[[3,4,5-trihydroxy-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-1-ium-6-yl]amino]anilino]hexanoate CAS Name: 6-oxo-6-[2-[[3,4,5-trihydroxy-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-1-ium-6-yl]amino]anilino]hexanoate IUPAC Name: 6-oxo-6-[2-[[3,4,5-trihydroxy-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-1-ium-6-yl]amino]anilino]hexanoate Traditional Name: 6-keto-6-[2-[(3,4,5-trihydroxy-2-methylol-2,3,4,5-tetrahydropyridin-1-ium-6-yl)amino]anilino]hexanoate Formula: C18H25N3O7 MolecularWeight: 395.407

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=[NH+]C(C(C(C2O)O)O)CO)NC(=O)CCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC2=[NH+]C(C(C(C2O)O)O)CO)NC(=O)CCCCC(=O)[O-]

InChI

InChI=1S/C18H25N3O7/c22-9-12-15(26)16(27)17(28)18(21-12)20-11-6-2-1-5-10(11)19-13(23)7-3-4-8-14(24)25/h1-2,5-6,12,15-17,22,26-28H,3-4,7-9H2,(H,19,23)(H,20,21)(H,24,25)