ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-[(3-chlorophenyl)methyl]-1-(3-isoxazolylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-(3-chlorobenzyl)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H24ClN2O3+ MolecularWeight: 363.85846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=NOC=C2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=NOC=C2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H23ClN2O3/c1-2-24-18(23)19(12-15-5-3-6-16(20)11-15)8-4-9-22(14-19)13-17-7-10-25-21-17/h3,5-7,10-11H,2,4,8-9,12-14H2,1H3/p+1/t19-/m0/s1