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

Systemtic Name: 5-(3,4-dimethylphenyl)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3,4-dimethylphenyl)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(3,4-dimethylphenyl)-3-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3,4-dimethylphenyl)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3,4-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=C(C=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4)C

Isomeric SMILES

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

InChI

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