N-[3-[4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]propyl]ethanamide

Systemtic Name: N-[3-[4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]propyl]ethanamide Openeye Name: N-[3-[4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]propyl]acetamide CAS Name: N-[3-[4-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]phenyl]propyl]acetamide IUPAC Name: N-[3-[4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]propyl]acetamide Traditional Name: N-[3-[4-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]phenyl]propyl]acetamide Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C18H20N2O3S/c1-14(21)19-11-4-5-15-7-9-16(10-8-15)17(22)13-24-18-6-2-3-12-20(18)23/h2-3,6-10,12H,4-5,11,13H2,1H3,(H,19,21)