5-(3,5-dimethylphenyl)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(3,5-dimethylphenyl)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3,5-dimethylphenyl)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(3,5-dimethylphenyl)-3-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3,5-dimethylphenyl)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3,5-dimethylphenyl)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Formula: C20H25N5OS+2 MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4)C

InChI

InChI=1S/C20H23N5OS/c1-15-11-16(2)13-17(12-15)19-22-25(20(27)26-19)14-23-7-9-24(10-8-23)18-3-5-21-6-4-18/h3-6,11-13H,7-10,14H2,1-2H3/p+2