methyl 1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-oxo-2-[[3-(p-tolyl)isoxazol-5-yl]amino]ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[3-(4-methylphenyl)-5-isoxazolyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[[3-(p-tolyl)isoxazol-5-yl]amino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H24N3O4+ MolecularWeight: 358.41156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H23N3O4/c1-13-3-5-14(6-4-13)16-11-18(26-21-16)20-17(23)12-22-9-7-15(8-10-22)19(24)25-2/h3-6,11,15H,7-10,12H2,1-2H3,(H,20,23)/p+1