[6-butanoyl-3-oxidanylidene-2-[2-(5-oxidanyl-5-oxidanylidene-3-phenyl-pentyl)sulfinylethyl]piperidin-1-ium-1-ylidene]azanide

Systemtic Name: [6-butanoyl-3-oxidanylidene-2-[2-(5-oxidanyl-5-oxidanylidene-3-phenyl-pentyl)sulfinylethyl]piperidin-1-ium-1-ylidene]azanide Openeye Name: [6-butanoyl-2-[2-(5-hydroxy-5-oxo-3-phenyl-pentyl)sulfinylethyl]-3-oxo-piperidin-1-ium-1-ylidene]azanide CAS Name: [2-[2-(5-hydroxy-5-oxo-3-phenylpentyl)sulfinylethyl]-3-oxo-6-(1-oxobutyl)-1-piperidin-1-iumylidene]azanide IUPAC Name: [6-butanoyl-2-[2-(5-hydroxy-5-oxo-3-phenylpentyl)sulfinylethyl]-3-oxopiperidin-1-ium-1-ylidene]azanide Traditional Name: [6-butyryl-2-[2-(5-hydroxy-5-keto-3-phenyl-pentyl)sulfinylethyl]-3-keto-piperidin-1-ium-1-ylidene]azanide Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1CCC(=O)C([N+]1=[N-])CCS(=O)CCC(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCC(=O)C1CCC(=O)C([N+]1=[N-])CCS(=O)CCC(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C22H30N2O5S/c1-2-6-20(25)18-9-10-21(26)19(24(18)23)12-14-30(29)13-11-17(15-22(27)28)16-7-4-3-5-8-16/h3-5,7-8,17-19H,2,6,9-15H2,1H3,(H,27,28)