5-[(2,5-dimethylphenoxy)methyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-[(2,5-dimethylphenoxy)methyl]isoxazole-3-carboxamide CAS Name: 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-isoxazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-[(2,5-dimethylphenoxy)methyl]isoxazole-3-carboxamide Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=CC(=NO2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=CC(=NO2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3/c1-18-8-9-19(2)24(14-18)30-17-22-15-23(27-31-22)25(29)26-21-10-12-28(13-11-21)16-20-6-4-3-5-7-20/h3-9,14-15,21H,10-13,16-17H2,1-2H3,(H,26,29)/p+1