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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-methyl-4-[[(3S)-3-phenylmethoxypiperidin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 4-[[(3S)-3-benzyloxypiperidin-1-ium-1-yl]methyl]-2-(3,4-dimethoxyphenyl)-5-methyl-oxazole CAS Name: 2-(3,4-dimethoxyphenyl)-5-methyl-4-[[(3S)-3-phenylmethoxy-1-piperidin-1-iumyl]methyl]oxazole IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-methyl-4-[[(3S)-3-phenylmethoxypiperidin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 4-[[(3S)-3-benzoxypiperidin-1-ium-1-yl]methyl]-2-(3,4-dimethoxyphenyl)-5-methyl-oxazole Formula: C25H31N2O4+ MolecularWeight: 423.52464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)C[NH+]3CCCC(C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)C[NH+]3CCC[C@@H](C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H30N2O4/c1-18-22(26-25(31-18)20-11-12-23(28-2)24(14-20)29-3)16-27-13-7-10-21(15-27)30-17-19-8-5-4-6-9-19/h4-6,8-9,11-12,14,21H,7,10,13,15-17H2,1-3H3/p+1/t21-/m0/s1