5-(4-methoxyphenyl)-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(4-methoxyphenyl)-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-(4-methoxyphenyl)-3-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thione Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2S/c1-26-20-9-7-19(8-10-20)21-23-25(22(28)27-21)16-24-13-11-18(12-14-24)15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3/p+1