N-phenyl-1-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-phenyl-1-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-phenyl-1-[(5-phenyl-2-thioxo-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-phenyl-1-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-phenyl-1-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-phenyl-1-[(5-phenyl-2-thioxo-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CN3C(=S)OC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CN3C(=S)OC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c26-19(22-18-9-5-2-6-10-18)16-11-13-24(14-12-16)15-25-21(28)27-20(23-25)17-7-3-1-4-8-17/h1-10,16H,11-15H2,(H,22,26)/p+1