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

Systemtic Name: 3-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,3,4-oxadiazole-2-thione Formula: C19H22N5OS+ MolecularWeight: 368.47588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C19H21N5OS/c26-19-24(21-18(25-19)17-6-8-20-9-7-17)15-23-12-10-22(11-13-23)14-16-4-2-1-3-5-16/h1-9H,10-15H2/p+1