phenyl-[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: phenyl-[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazin-4-ium-1-yl]methanone Openeye Name: phenyl-[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazin-4-ium-1-yl]methanone CAS Name: phenyl-[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1-piperazin-4-iumyl]methanone IUPAC Name: phenyl-[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazin-4-ium-1-yl]methanone Traditional Name: phenyl-[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazin-4-ium-1-yl]methanone Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=NC(=NO2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=NC(=NO2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2/c27-22(19-10-5-2-6-11-19)26-16-14-25(15-17-26)13-7-12-20-23-21(24-28-20)18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2/p+1