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

Systemtic Name: 4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-N-(3-oxidanylpyridin-1-ium-2-yl)butanamide Openeye Name: N-(3-hydroxypyridin-1-ium-2-yl)-4-indan-5-yl-4-oxo-butanamide CAS Name: 4-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2-pyridin-1-iumyl)-4-oxobutanamide IUPAC Name: 4-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxypyridin-1-ium-2-yl)-4-oxobutanamide Traditional Name: N-(3-hydroxypyridin-1-ium-2-yl)-4-indan-5-yl-4-keto-butyramide Formula: C18H19N2O3+ MolecularWeight: 311.35506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)NC3=C(C=CC=[NH+]3)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)NC3=C(C=CC=[NH+]3)O

InChI

InChI=1S/C18H18N2O3/c21-15(14-7-6-12-3-1-4-13(12)11-14)8-9-17(23)20-18-16(22)5-2-10-19-18/h2,5-7,10-11,22H,1,3-4,8-9H2,(H,19,20,23)/p+1