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

Systemtic Name: 5-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole Openeye Name: 5-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole Traditional Name: 5-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole Formula: C27H29N4O2+ MolecularWeight: 441.54476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NOC(=N2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=NOC(=N2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2/c1-32-24-15-9-8-14-23(24)27-28-25(33-29-27)20-30-16-18-31(19-17-30)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,26H,16-20H2,1H3/p+1