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

Systemtic Name: 5-(phenylmethyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-benzyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(phenylmethyl)-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-benzyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-benzyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)OC(=N2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)OC(=N2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4OS/c26-20-24(21-19(25-20)15-17-7-3-1-4-8-17)16-22-11-13-23(14-12-22)18-9-5-2-6-10-18/h1-10H,11-16H2/p+1