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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)OC(=N2)CC3=CC=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1CN2C(=S)OC(=N2)CC3=CC=CC=C3)C4=CC=CC=[NH+]4

InChI

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