ethyl (3S)-1-(1,2-oxazol-3-ylmethyl)-3-(phenylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-(1,2-oxazol-3-ylmethyl)-3-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-benzyl-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(3-isoxazolylmethyl)-3-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-benzyl-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-benzyl-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H25N2O3+ MolecularWeight: 329.4134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O3/c1-2-23-18(22)19(13-16-7-4-3-5-8-16)10-6-11-21(15-19)14-17-9-12-24-20-17/h3-5,7-9,12H,2,6,10-11,13-15H2,1H3/p+1/t19-/m0/s1