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

Systemtic Name: N-naphthalen-1-yl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(1-naphthyl)-4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(1-naphthalenyl)-4-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-naphthalen-1-yl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(1-naphthyl)-4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carboxamide Formula: C22H22N5O2S+ MolecularWeight: 420.50738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CSC=C3)C(=O)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CSC=C3)C(=O)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C22H21N5O2S/c28-22(23-19-7-3-5-16-4-1-2-6-18(16)19)27-11-9-26(10-12-27)14-20-24-21(25-29-20)17-8-13-30-15-17/h1-8,13,15H,9-12,14H2,(H,23,28)/p+1