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

Systemtic Name: N-phenyl-1-[(5-pyridin-3-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-phenyl-1-[[5-(3-pyridyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: N-phenyl-1-[[5-(3-pyridinyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-phenyl-1-[(5-pyridin-3-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-phenyl-1-[[5-(3-pyridyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C20H22N5O2S+ MolecularWeight: 396.48598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2S/c26-18(22-17-6-2-1-3-7-17)15-8-11-24(12-9-15)14-25-20(28)27-19(23-25)16-5-4-10-21-13-16/h1-7,10,13,15H,8-9,11-12,14H2,(H,22,26)/p+1