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

Systemtic Name: 5-(phenylmethyl)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-benzyl-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(phenylmethyl)-3-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-benzyl-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-benzyl-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Formula: C19H23N5OS+2 MolecularWeight: 369.48382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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