ethyl (3S)-1-[(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(6-chloro-2-keto-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H20ClN2O4+ MolecularWeight: 339.794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C3=C(C=C(C=C3)Cl)OC2=O

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C3=C(C=C(C=C3)Cl)OC2=O

InChI

InChI=1S/C16H19ClN2O4/c1-2-22-15(20)11-4-3-7-18(9-11)10-19-13-6-5-12(17)8-14(13)23-16(19)21/h5-6,8,11H,2-4,7,9-10H2,1H3/p+1/t11-/m0/s1