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

Systemtic Name: 5-(4-methoxyphenyl)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(4-methoxyphenyl)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(4-methoxyphenyl)-3-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(4-methoxyphenyl)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(4-methoxyphenyl)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Formula: C19H23N5O2S+2 MolecularWeight: 385.48322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C19H21N5O2S/c1-25-17-4-2-15(3-5-17)18-21-24(19(27)26-18)14-22-10-12-23(13-11-22)16-6-8-20-9-7-16/h2-9H,10-14H2,1H3/p+2