ethyl 4-[(4-chlorophenyl)methyl]-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(isoxazol-3-ylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-(3-isoxazolylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H24ClN2O3+ MolecularWeight: 363.85846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=NOC=C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=NOC=C2)CC3=CC=C(C=C3)Cl

InChI

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