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

Systemtic Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-(isoxazol-3-ylmethyl)-3-(o-tolylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(3-isoxazolylmethyl)-3-[(2-methylphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(isoxazol-3-ylmethyl)-3-(2-methylbenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=NOC=C2)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=NOC=C2)CC3=CC=CC=C3C

InChI

InChI=1S/C20H26N2O3/c1-3-24-19(23)20(13-17-8-5-4-7-16(17)2)10-6-11-22(15-20)14-18-9-12-25-21-18/h4-5,7-9,12H,3,6,10-11,13-15H2,1-2H3/p+1/t20-/m0/s1