5-(phenoxymethyl)-3-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(phenoxymethyl)-3-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(phenoxymethyl)-3-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(phenoxymethyl)-3-[(4-phenyl-1-piperidin-1-iumyl)methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(phenoxymethyl)-3-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(phenoxymethyl)-3-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=CC=C2)CN3C(=S)OC(=N3)COC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C2=CC=CC=C2)CN3C(=S)OC(=N3)COC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S/c27-21-24(22-20(26-21)15-25-19-9-5-2-6-10-19)16-23-13-11-18(12-14-23)17-7-3-1-4-8-17/h1-10,18H,11-16H2/p+1