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

Systemtic Name: 5-[(4-methoxyphenyl)methyl]-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-[(4-methoxyphenyl)methyl]-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-[(4-methoxyphenyl)methyl]-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-[(4-methoxyphenyl)methyl]-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-p-anisyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Formula: C20H25N5O2S+2 MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H23N5O2S/c1-26-17-7-5-16(6-8-17)14-19-22-25(20(28)27-19)15-23-10-12-24(13-11-23)18-4-2-3-9-21-18/h2-9H,10-15H2,1H3/p+2