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

Systemtic Name: 3-(diphenylmethyl)-5-[[(3S)-4-methyl-3-phenyl-piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-benzhydryl-5-[[(3S)-4-methyl-3-phenyl-piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(diphenylmethyl)-5-[[(3S)-4-methyl-3-phenyl-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-benzhydryl-5-[[(3S)-4-methyl-3-phenylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-benzhydryl-5-[[(3S)-4-methyl-3-phenyl-piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C27H29N4O+ MolecularWeight: 425.54536

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1C2=CC=CC=C2)CC3=NC(=NO3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1CC[NH+](C[C@@H]1C2=CC=CC=C2)CC3=NC(=NO3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O/c1-30-17-18-31(19-24(30)21-11-5-2-6-12-21)20-25-28-27(29-32-25)26(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24,26H,17-20H2,1H3/p+1/t24-/m1/s1