5-methyl-2-(2-methylphenyl)-4-[[(3S)-3-phenylmethoxypiperidin-1-ium-1-yl]methyl]-1,3-oxazole

Systemtic Name: 5-methyl-2-(2-methylphenyl)-4-[[(3S)-3-phenylmethoxypiperidin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 4-[[(3S)-3-benzyloxypiperidin-1-ium-1-yl]methyl]-5-methyl-2-(o-tolyl)oxazole CAS Name: 5-methyl-2-(2-methylphenyl)-4-[[(3S)-3-phenylmethoxy-1-piperidin-1-iumyl]methyl]oxazole IUPAC Name: 5-methyl-2-(2-methylphenyl)-4-[[(3S)-3-phenylmethoxypiperidin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 4-[[(3S)-3-benzoxypiperidin-1-ium-1-yl]methyl]-5-methyl-2-(o-tolyl)oxazole Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+]3CCCC(C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+]3CCC[C@@H](C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O2/c1-18-9-6-7-13-22(18)24-25-23(19(2)28-24)16-26-14-8-12-21(15-26)27-17-20-10-4-3-5-11-20/h3-7,9-11,13,21H,8,12,14-17H2,1-2H3/p+1/t21-/m0/s1