2-[(2S)-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[[5-methyl-2-(3-phenoxyphenyl)oxazol-4-yl]methyl]piperidin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[[5-methyl-2-(3-phenoxyphenyl)-4-oxazolyl]methyl]-2-piperidin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[[5-methyl-2-(3-phenoxyphenyl)oxazol-4-yl]methyl]piperidin-1-ium-2-yl]ethanol Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC(=CC=C2)OC3=CC=CC=C3)C[NH+]4CCCCC4CCO

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=CC=C2)OC3=CC=CC=C3)C[NH+]4CCCC[C@H]4CCO

InChI

InChI=1S/C24H28N2O3/c1-18-23(17-26-14-6-5-9-20(26)13-15-27)25-24(28-18)19-8-7-12-22(16-19)29-21-10-3-2-4-11-21/h2-4,7-8,10-12,16,20,27H,5-6,9,13-15,17H2,1H3/p+1/t20-/m0/s1