4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-N-(3-oxidanylpyridin-1-ium-2-yl)butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-N-(3-oxidanylpyridin-1-ium-2-yl)butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3-hydroxypyridin-1-ium-2-yl)-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3-hydroxy-2-pyridin-1-iumyl)-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3-hydroxypyridin-1-ium-2-yl)-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3-hydroxypyridin-1-ium-2-yl)-4-keto-butyramide Formula: C18H19N2O5+ MolecularWeight: 343.35386

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NC3=C(C=CC=[NH+]3)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NC3=C(C=CC=[NH+]3)O)OC1

InChI

InChI=1S/C18H18N2O5/c21-13(5-7-17(23)20-18-14(22)3-1-8-19-18)12-4-6-15-16(11-12)25-10-2-9-24-15/h1,3-4,6,8,11,22H,2,5,7,9-10H2,(H,19,20,23)/p+1