5-(4-methylphenyl)-3-(morpholin-4-ium-4-ylmethyl)-1,3,4-oxadiazole-2-thione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCOCC3

InChI

InChI=1S/C14H17N3O2S/c1-11-2-4-12(5-3-11)13-15-17(14(20)19-13)10-16-6-8-18-9-7-16/h2-5H,6-10H2,1H3/p+1