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

Systemtic Name: N-cyclopentyl-3-ethyl-5-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-1,2-oxazole-4-carboxamide Openeye Name: N-cyclopentyl-3-ethyl-5-methyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]isoxazole-4-carboxamide CAS Name: N-cyclopentyl-3-ethyl-5-methyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-4-isoxazolecarboxamide IUPAC Name: N-cyclopentyl-3-ethyl-5-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-1,2-oxazole-4-carboxamide Traditional Name: N-cyclopentyl-3-ethyl-5-methyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]isoxazole-4-carboxamide Formula: C27H40N3O2+ MolecularWeight: 438.6254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)N(CC2CC[NH+](CC2)CCC3=CC=CC=C3C)C4CCCC4)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)N(CC2CC[NH+](CC2)CCC3=CC=CC=C3C)C4CCCC4)C

InChI

InChI=1S/C27H39N3O2/c1-4-25-26(21(3)32-28-25)27(31)30(24-11-7-8-12-24)19-22-13-16-29(17-14-22)18-15-23-10-6-5-9-20(23)2/h5-6,9-10,22,24H,4,7-8,11-19H2,1-3H3/p+1