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

Systemtic Name: ethyl 1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxidanylidene-propyl]-4-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-[(5-methylisoxazol-3-yl)amino]-3-oxo-propyl]-4-phenyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[3-[(5-methyl-3-isoxazolyl)amino]-3-oxopropyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-4-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[3-keto-3-[(5-methylisoxazol-3-yl)amino]propyl]-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCC(=O)NC2=NOC(=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCC(=O)NC2=NOC(=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4/c1-3-27-20(26)21(17-7-5-4-6-8-17)10-13-24(14-11-21)12-9-19(25)22-18-15-16(2)28-23-18/h4-8,15H,3,9-14H2,1-2H3,(H,22,23,25)/p+1