3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-[1-(p-tolyl)cyclopentyl]-5-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-[1-(4-methylphenyl)cyclopentyl]-5-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-[1-(p-tolyl)cyclopentyl]-5-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C24H31N5O+2 MolecularWeight: 405.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CCCC2)C3=NOC(=N3)C[NH+]4CCN(CC4)C5=CC=[NH+]C=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2(CCCC2)C3=NOC(=N3)C[NH+]4CCN(CC4)C5=CC=[NH+]C=C5

InChI

InChI=1S/C24H29N5O/c1-19-4-6-20(7-5-19)24(10-2-3-11-24)23-26-22(30-27-23)18-28-14-16-29(17-15-28)21-8-12-25-13-9-21/h4-9,12-13H,2-3,10-11,14-18H2,1H3/p+2