[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-(1-phenylcyclobutyl)methanone

Systemtic Name: [4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-(1-phenylcyclobutyl)methanone Openeye Name: [4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-(1-phenylcyclobutyl)methanone CAS Name: [4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]-(1-phenylcyclobutyl)methanone IUPAC Name: [4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-(1-phenylcyclobutyl)methanone Traditional Name: [4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-(1-phenylcyclobutyl)methanone Formula: C25H29N4O3+ MolecularWeight: 433.52276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C(=O)C4(CCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C(=O)C4(CCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N4O3/c1-31-21-10-8-19(9-11-21)23-26-22(32-27-23)18-28-14-16-29(17-15-28)24(30)25(12-5-13-25)20-6-3-2-4-7-20/h2-4,6-11H,5,12-18H2,1H3/p+1