3-[(2S)-1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol

Systemtic Name: 3-[(2S)-1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol Openeye Name: 3-[(2S)-1-[[2-(4-ethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol CAS Name: 3-[(2S)-1-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methyl]-2-piperidin-1-iumyl]-1-propanol IUPAC Name: 3-[(2S)-1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol Traditional Name: 3-[(2S)-1-[(5-methyl-2-p-phenetyl-oxazol-4-yl)methyl]piperidin-1-ium-2-yl]propan-1-ol Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)C[NH+]3CCCCC3CCCO

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)C[NH+]3CCCC[C@H]3CCCO

InChI

InChI=1S/C21H30N2O3/c1-3-25-19-11-9-17(10-12-19)21-22-20(16(2)26-21)15-23-13-5-4-7-18(23)8-6-14-24/h9-12,18,24H,3-8,13-15H2,1-2H3/p+1/t18-/m0/s1