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

Systemtic Name: 5-(2-ethoxyphenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(2-ethoxyphenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(2-ethoxyphenyl)-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(2-ethoxyphenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-o-phenetyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1C2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2S/c1-2-26-19-11-7-6-10-18(19)20-22-25(21(28)27-20)16-23-12-14-24(15-13-23)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3/p+1