3-(azocan-1-ium-1-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-(azocan-1-ium-1-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-(azocan-1-ium-1-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-(1-azocan-1-iumylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-(azocan-1-ium-1-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-(azocan-1-ium-1-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione Formula: C19H28N3O4S+ MolecularWeight: 394.50832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN(C(=S)O2)C[NH+]3CCCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN(C(=S)O2)C[NH+]3CCCCCCC3

InChI

InChI=1S/C19H27N3O4S/c1-23-15-11-14(12-16(24-2)17(15)25-3)18-20-22(19(27)26-18)13-21-9-7-5-4-6-8-10-21/h11-12H,4-10,13H2,1-3H3/p+1