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

Systemtic Name: 3-(3-chlorophenyl)-5-[[(3S)-4-methyl-3-phenyl-piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-(3-chlorophenyl)-5-[[(3S)-4-methyl-3-phenyl-piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(3-chlorophenyl)-5-[[(3S)-4-methyl-3-phenyl-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-chlorophenyl)-5-[[(3S)-4-methyl-3-phenylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-(3-chlorophenyl)-5-[[(3S)-4-methyl-3-phenyl-piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C20H22ClN4O+ MolecularWeight: 369.86788

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1C2=CC=CC=C2)CC3=NC(=NO3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CN1CC[NH+](C[C@@H]1C2=CC=CC=C2)CC3=NC(=NO3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H21ClN4O/c1-24-10-11-25(13-18(24)15-6-3-2-4-7-15)14-19-22-20(23-26-19)16-8-5-9-17(21)12-16/h2-9,12,18H,10-11,13-14H2,1H3/p+1/t18-/m1/s1