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

Systemtic Name: 3-(4-methoxyphenyl)-5-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 3-(4-methoxyphenyl)-5-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]isoxazole CAS Name: 3-(4-methoxyphenyl)-5-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]isoxazole IUPAC Name: 3-(4-methoxyphenyl)-5-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 3-(4-methoxyphenyl)-5-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]isoxazole Formula: C17H23N2O2+ MolecularWeight: 287.37672

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC(=NO2)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC(=NO2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H22N2O2/c1-13-4-3-9-19(11-13)12-16-10-17(18-21-16)14-5-7-15(20-2)8-6-14/h5-8,10,13H,3-4,9,11-12H2,1-2H3/p+1/t13-/m0/s1