methyl 1-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[3-(2,4-dichlorophenyl)isoxazol-5-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(2,4-dichlorophenyl)-5-isoxazolyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(2,4-dichlorophenyl)isoxazol-5-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H19Cl2N2O3+ MolecularWeight: 370.25036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18Cl2N2O3/c1-23-17(22)11-4-6-21(7-5-11)10-13-9-16(20-24-13)14-3-2-12(18)8-15(14)19/h2-3,8-9,11H,4-7,10H2,1H3/p+1