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

Systemtic Name: 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-5-(1-piperidin-1-iumylmethyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Formula: C19H29N5OS+2 MolecularWeight: 375.53146

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C19H27N5OS/c26-19-24(20-18(25-19)15-21-9-5-2-6-10-21)16-22-11-13-23(14-12-22)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2/p+2