2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)ethanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[4-(1-piperidyl)phenyl]acetamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[4-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-(4-piperidinophenyl)acetamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H21N3O2S/c22-17(14-24-18-6-2-5-13-21(18)23)19-15-7-9-16(10-8-15)20-11-3-1-4-12-20/h2,5-10,13H,1,3-4,11-12,14H2,(H,19,22)