methyl 4-[5-methyl-4-[[(3R)-3-phenylpiperidin-1-ium-1-yl]methyl]-1,3-oxazol-2-yl]benzoate

Systemtic Name: methyl 4-[5-methyl-4-[[(3R)-3-phenylpiperidin-1-ium-1-yl]methyl]-1,3-oxazol-2-yl]benzoate Openeye Name: methyl 4-[5-methyl-4-[[(3R)-3-phenylpiperidin-1-ium-1-yl]methyl]oxazol-2-yl]benzoate CAS Name: 4-[5-methyl-4-[[(3R)-3-phenyl-1-piperidin-1-iumyl]methyl]-2-oxazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-methyl-4-[[(3R)-3-phenylpiperidin-1-ium-1-yl]methyl]-1,3-oxazol-2-yl]benzoate Traditional Name: 4-[5-methyl-4-[[(3R)-3-phenylpiperidin-1-ium-1-yl]methyl]oxazol-2-yl]benzoic acid methyl ester Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)C[NH+]3CCCC(C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)C[NH+]3CCC[C@@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N2O3/c1-17-22(16-26-14-6-9-21(15-26)18-7-4-3-5-8-18)25-23(29-17)19-10-12-20(13-11-19)24(27)28-2/h3-5,7-8,10-13,21H,6,9,14-16H2,1-2H3/p+1/t21-/m0/s1