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

Systemtic Name: ethyl 1-[[3-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-[(5-methylisoxazole-3-carbonyl)amino]phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]phenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-[(5-methylisoxazole-3-carbonyl)amino]benzyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H26N3O4+ MolecularWeight: 372.43814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)NC(=O)C3=NOC(=C3)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)NC(=O)C3=NOC(=C3)C

InChI

InChI=1S/C20H25N3O4/c1-3-26-20(25)16-7-9-23(10-8-16)13-15-5-4-6-17(12-15)21-19(24)18-11-14(2)27-22-18/h4-6,11-12,16H,3,7-10,13H2,1-2H3,(H,21,24)/p+1