2,2-dimethyl-N-[4-[(2R)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylpropanoyl]phenyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[4-[(2R)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylpropanoyl]phenyl]propanamide Openeye Name: 2,2-dimethyl-N-[4-[(2R)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanoyl]phenyl]propanamide CAS Name: 2,2-dimethyl-N-[4-[(2R)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxopropyl]phenyl]propanamide IUPAC Name: 2,2-dimethyl-N-[4-[(2R)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanoyl]phenyl]propanamide Traditional Name: 2,2-dimethyl-N-[4-[(2R)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propanoyl]phenyl]propionamide Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C(C)(C)C)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)NC(=O)C(C)(C)C)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C19H22N2O3S/c1-13(25-16-7-5-6-12-21(16)24)17(22)14-8-10-15(11-9-14)20-18(23)19(2,3)4/h5-13H,1-4H3,(H,20,23)/t13-/m1/s1