5-(4-methoxyphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(4-methoxyphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 5-(4-methoxyphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-(4-methoxyphenyl)-3-(1-pyrrolidin-1-iumylmethyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(4-methoxyphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 5-(4-methoxyphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Formula: C14H18N3O2S+ MolecularWeight: 292.37662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCCC3

InChI

InChI=1S/C14H17N3O2S/c1-18-12-6-4-11(5-7-12)13-15-17(14(20)19-13)10-16-8-2-3-9-16/h4-7H,2-3,8-10H2,1H3/p+1