naphthalen-2-yl-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: naphthalen-2-yl-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 2-naphthyl-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: 2-naphthalenyl-[4-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: naphthalen-2-yl-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 2-naphthyl-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C22H21N4O2S+ MolecularWeight: 405.49274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CSC=C3)C(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CSC=C3)C(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C22H20N4O2S/c27-22(18-6-5-16-3-1-2-4-17(16)13-18)26-10-8-25(9-11-26)14-20-23-21(24-28-20)19-7-12-29-15-19/h1-7,12-13,15H,8-11,14H2/p+1