5-(3,4-dimethoxyphenyl)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(3,4-dimethoxyphenyl)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3,4-dimethoxyphenyl)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(3,4-dimethoxyphenyl)-3-[(4-methyl-1-piperazin-4-iumyl)methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3,4-dimethoxyphenyl)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3,4-dimethoxyphenyl)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Formula: C16H23N4O3S+ MolecularWeight: 351.44382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CN2C(=S)OC(=N2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)CN2C(=S)OC(=N2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C16H22N4O3S/c1-18-6-8-19(9-7-18)11-20-16(24)23-15(17-20)12-4-5-13(21-2)14(10-12)22-3/h4-5,10H,6-9,11H2,1-3H3/p+1