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

Systemtic Name: methyl 4-[5-[[(2S)-2-methyl-4-phenyl-piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazol-3-yl]benzoate Openeye Name: methyl 4-[5-[[(2S)-2-methyl-4-phenyl-piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazol-3-yl]benzoate CAS Name: 4-[5-[[(2S)-2-methyl-4-phenyl-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[[(2S)-2-methyl-4-phenylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazol-3-yl]benzoate Traditional Name: 4-[5-[[(2S)-2-methyl-4-phenyl-piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3/c1-16-14-26(19-6-4-3-5-7-19)13-12-25(16)15-20-23-21(24-29-20)17-8-10-18(11-9-17)22(27)28-2/h3-11,16H,12-15H2,1-2H3/p+1/t16-/m0/s1