2-(4-ethoxyphenyl)-5-methyl-4-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]-1,3-oxazole

Systemtic Name: 2-(4-ethoxyphenyl)-5-methyl-4-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 2-(4-ethoxyphenyl)-5-methyl-4-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]oxazole CAS Name: 2-(4-ethoxyphenyl)-5-methyl-4-[[(2S)-2-[2-(1-pyrazolyl)ethyl]-1-piperidin-1-iumyl]methyl]oxazole IUPAC Name: 2-(4-ethoxyphenyl)-5-methyl-4-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 5-methyl-2-p-phenetyl-4-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]oxazole Formula: C23H31N4O2+ MolecularWeight: 395.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)C[NH+]3CCCCC3CCN4C=CC=N4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)C[NH+]3CCCC[C@H]3CCN4C=CC=N4

InChI

InChI=1S/C23H30N4O2/c1-3-28-21-10-8-19(9-11-21)23-25-22(18(2)29-23)17-26-14-5-4-7-20(26)12-16-27-15-6-13-24-27/h6,8-11,13,15,20H,3-5,7,12,14,16-17H2,1-2H3/p+1/t20-/m0/s1