ethyl 1-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2-keto-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H21N2O4+ MolecularWeight: 305.34894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C3=CC=CC=C3OC2=O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C16H20N2O4/c1-2-21-15(19)12-7-9-17(10-8-12)11-18-13-5-3-4-6-14(13)22-16(18)20/h3-6,12H,2,7-11H2,1H3/p+1