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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-methyl-4-[[(3R)-3-phenylpiperidin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 2-(3,4-dimethoxyphenyl)-5-methyl-4-[[(3R)-3-phenylpiperidin-1-ium-1-yl]methyl]oxazole CAS Name: 2-(3,4-dimethoxyphenyl)-5-methyl-4-[[(3R)-3-phenyl-1-piperidin-1-iumyl]methyl]oxazole IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-methyl-4-[[(3R)-3-phenylpiperidin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 2-(3,4-dimethoxyphenyl)-5-methyl-4-[[(3R)-3-phenylpiperidin-1-ium-1-yl]methyl]oxazole Formula: C24H29N2O3+ MolecularWeight: 393.49866

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O3/c1-17-21(16-26-13-7-10-20(15-26)18-8-5-4-6-9-18)25-24(29-17)19-11-12-22(27-2)23(14-19)28-3/h4-6,8-9,11-12,14,20H,7,10,13,15-16H2,1-3H3/p+1/t20-/m0/s1