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

Systemtic Name: 3-ethyl-5-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide Openeye Name: 3-ethyl-5-methyl-N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)isoxazole-4-carboxamide CAS Name: 3-ethyl-5-methyl-N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(3-pyridinylmethyl)-4-isoxazolecarboxamide IUPAC Name: 3-ethyl-5-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide Traditional Name: 3-ethyl-5-methyl-N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)isoxazole-4-carboxamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)N(CC2CC[NH+](CC2)CC3=CC=CC=C3C)CC4=CN=CC=C4)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)N(CC2CC[NH+](CC2)CC3=CC=CC=C3C)CC4=CN=CC=C4)C

InChI

InChI=1S/C27H34N4O2/c1-4-25-26(21(3)33-29-25)27(32)31(18-23-9-7-13-28-16-23)17-22-11-14-30(15-12-22)19-24-10-6-5-8-20(24)2/h5-10,13,16,22H,4,11-12,14-15,17-19H2,1-3H3/p+1