N-(2,5-dimethoxyphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H18N2O4S/c1-11(23-15-6-4-5-9-18(15)20)16(19)17-13-10-12(21-2)7-8-14(13)22-3/h4-11H,1-3H3,(H,17,19)