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

Systemtic Name: methyl 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3/c1-21-16(20)13-7-9-19(10-8-13)11-14-17-15(18-22-14)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3/p+1