1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCC3=NC(=NO3)C4=CC=CC=C4

InChI

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