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

Systemtic Name: 3-(diphenylmethyl)-5-[[4-(4-ethylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-benzhydryl-5-[[4-(4-ethylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(diphenylmethyl)-5-[[4-(4-ethyl-1-piperazinyl)-1-piperidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-benzhydryl-5-[[4-(4-ethylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-benzhydryl-5-[[4-(4-ethylpiperazino)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C27H36N5O+ MolecularWeight: 446.60764

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2CC[NH+](CC2)CC3=NC(=NO3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2CC[NH+](CC2)CC3=NC(=NO3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H35N5O/c1-2-30-17-19-32(20-18-30)24-13-15-31(16-14-24)21-25-28-27(29-33-25)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,24,26H,2,13-21H2,1H3/p+1