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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3,4-dimethoxyphenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(3,4-dimethoxyphenyl)-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3,4-dimethoxyphenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3,4-dimethoxyphenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-26-18-9-8-16(14-19(18)27-2)20-22-25(21(29)28-20)15-23-10-12-24(13-11-23)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3/p+1