1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 4-piperidin-1-ium-1-yl-1-[[3-[1-(p-tolyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 4-piperidin-1-ium-1-yl-1-[[3-[1-(p-tolyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C26H39N5O2+2 MolecularWeight: 453.62016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CCCC2)C3=NOC(=N3)C[NH+]4CCC(CC4)(C(=O)N)[NH+]5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2(CCCC2)C3=NOC(=N3)C[NH+]4CCC(CC4)(C(=O)N)[NH+]5CCCCC5

InChI

InChI=1S/C26H37N5O2/c1-20-7-9-21(10-8-20)25(11-3-4-12-25)24-28-22(33-29-24)19-30-17-13-26(14-18-30,23(27)32)31-15-5-2-6-16-31/h7-10H,2-6,11-19H2,1H3,(H2,27,32)/p+2