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

Systemtic Name: 3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-[1-(p-tolyl)cyclopentyl]-5-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-[1-(4-methylphenyl)cyclopentyl]-5-[[4-(1-pyrrolidin-1-iumyl)-1-piperidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-[1-(p-tolyl)cyclopentyl]-5-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C24H36N4O+2 MolecularWeight: 396.56884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CCCC2)C3=NOC(=N3)C[NH+]4CCC(CC4)[NH+]5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2(CCCC2)C3=NOC(=N3)C[NH+]4CCC(CC4)[NH+]5CCCC5

InChI

InChI=1S/C24H34N4O/c1-19-6-8-20(9-7-19)24(12-2-3-13-24)23-25-22(29-26-23)18-27-16-10-21(11-17-27)28-14-4-5-15-28/h6-9,21H,2-5,10-18H2,1H3/p+2