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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NO1)C(=O)N(CC2CC[NH+](CC2)CCC3=CC=CC=C3C)C4CCCC4

Isomeric SMILES

CCCC1=CC(=NO1)C(=O)N(CC2CC[NH+](CC2)CCC3=CC=CC=C3C)C4CCCC4

InChI

InChI=1S/C27H39N3O2/c1-3-8-25-19-26(28-32-25)27(31)30(24-11-6-7-12-24)20-22-13-16-29(17-14-22)18-15-23-10-5-4-9-21(23)2/h4-5,9-10,19,22,24H,3,6-8,11-18,20H2,1-2H3/p+1