1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-methyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-methyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-(4-chlorophenyl)isoxazol-5-yl]methyl]-N-methyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-N-methyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-(4-chlorophenyl)isoxazol-5-yl]methyl]-N-methyl-piperidin-1-ium-4-carboxamide Formula: C17H21ClN3O2+ MolecularWeight: 334.82054

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC[NH+](CC1)CC2=CC(=NO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CNC(=O)C1CC[NH+](CC1)CC2=CC(=NO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN3O2/c1-19-17(22)13-6-8-21(9-7-13)11-15-10-16(20-23-15)12-2-4-14(18)5-3-12/h2-5,10,13H,6-9,11H2,1H3,(H,19,22)/p+1