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

Systemtic Name: 3-(azocan-1-ium-1-ylmethyl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-(azocan-1-ium-1-ylmethyl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-(1-azocan-1-iumylmethyl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-(azocan-1-ium-1-ylmethyl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-(azocan-1-ium-1-ylmethyl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-thione Formula: C18H26N3O3S+ MolecularWeight: 364.48234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCCCCCC3)OC

InChI

InChI=1S/C18H25N3O3S/c1-22-15-9-8-14(12-16(15)23-2)17-19-21(18(25)24-17)13-20-10-6-4-3-5-7-11-20/h8-9,12H,3-7,10-11,13H2,1-2H3/p+1