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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C[NH+](CCN1C(=O)CCC2=NN=C(O2)C3=CC=C(C=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC(C)[C@H]1C[NH+](CCN1C(=O)CCC2=NN=C(O2)C3=CC=C(C=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H30N4O2/c1-18(2)22-17-28(3)15-16-29(22)24(30)14-13-23-26-27-25(31-23)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-12,18,22H,13-17H2,1-3H3/p+1/t22-/m1/s1