1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone CAS Name: 1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]ethanone IUPAC Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]ethanone Formula: C25H25N4O2S+ MolecularWeight: 445.5566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CSC4=NN=C(O4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CSC4=NN=C(O4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N4O2S/c30-23(18-32-25-27-26-24(31-25)20-8-2-1-3-9-20)29-15-13-28(14-16-29)17-21-11-6-10-19-7-4-5-12-22(19)21/h1-12H,13-18H2/p+1