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

Systemtic Name: 5-methyl-2-(3-methylthiophen-2-yl)-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-(3-methyl-2-thienyl)oxazole CAS Name: 5-methyl-2-(3-methyl-2-thiophenyl)-4-[[(3S)-3-phenylmethoxy-1-piperidin-1-iumyl]methyl]oxazole IUPAC Name: 5-methyl-2-(3-methylthiophen-2-yl)-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-(3-methyl-2-thienyl)oxazole Formula: C22H27N2O2S+ MolecularWeight: 383.52698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=NC(=C(O2)C)C[NH+]3CCCC(C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC=C1)C2=NC(=C(O2)C)C[NH+]3CCC[C@@H](C3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H26N2O2S/c1-16-10-12-27-21(16)22-23-20(17(2)26-22)14-24-11-6-9-19(13-24)25-15-18-7-4-3-5-8-18/h3-5,7-8,10,12,19H,6,9,11,13-15H2,1-2H3/p+1/t19-/m0/s1