N-(4-dimethylaminophenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-(4-dimethylaminophenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(4-dimethylaminophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-(4-dimethylaminophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(4-dimethylaminophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(4-dimethylaminophenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2S/c1-12(22-15-6-4-5-11-19(15)21)16(20)17-13-7-9-14(10-8-13)18(2)3/h4-12H,1-3H3,(H,17,20)