N-[4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]hexanamide

Systemtic Name: N-[4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]hexanamide Openeye Name: N-[4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]hexanamide CAS Name: N-[4-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]phenyl]hexanamide IUPAC Name: N-[4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]hexanamide Traditional Name: N-[4-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]phenyl]hexanamide Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C19H22N2O3S/c1-2-3-4-7-18(23)20-16-11-9-15(10-12-16)17(22)14-25-19-8-5-6-13-21(19)24/h5-6,8-13H,2-4,7,14H2,1H3,(H,20,23)