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

Systemtic Name: 1-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one Openeye Name: 1-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one CAS Name: 1-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]-1-propanone IUPAC Name: 1-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one Traditional Name: 1-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)CCC3=NN=C(O3)CCCC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)C(=O)CCC3=NN=C(O3)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-28-17-18-29(22(19-28)21-12-6-3-7-13-21)25(30)16-15-24-27-26-23(31-24)14-8-11-20-9-4-2-5-10-20/h2-7,9-10,12-13,22H,8,11,14-19H2,1H3/p+1/t22-/m1/s1