N-(2-methylpropyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-methylpropyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-isobutyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-(2-methylpropyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(2-methylpropyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-isobutyl-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)SC1=CC=CC=[N+]1[O-]

Isomeric SMILES

CC(C)CNC(=O)C(C)SC1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C12H18N2O2S/c1-9(2)8-13-12(15)10(3)17-11-6-4-5-7-14(11)16/h4-7,9-10H,8H2,1-3H3,(H,13,15)