1-(2,2-dimethyl-3-oxidanyl-propyl)-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-ium-4-ol

Systemtic Name: 1-(2,2-dimethyl-3-oxidanyl-propyl)-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-ium-4-ol Openeye Name: 1-(3-hydroxy-2,2-dimethyl-propyl)-4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]piperidin-1-ium-4-ol CAS Name: 1-(3-hydroxy-2,2-dimethylpropyl)-4-[[3-(3-methoxyphenyl)-5-isoxazolyl]methyl]-4-piperidin-1-iumol IUPAC Name: 1-(3-hydroxy-2,2-dimethylpropyl)-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-ium-4-ol Traditional Name: 1-(3-hydroxy-2,2-dimethyl-propyl)-4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]piperidin-1-ium-4-ol Formula: C21H31N2O4+ MolecularWeight: 375.48184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCC(CC1)(CC2=CC(=NO2)C3=CC(=CC=C3)OC)O)CO

Isomeric SMILES

CC(C)(C[NH+]1CCC(CC1)(CC2=CC(=NO2)C3=CC(=CC=C3)OC)O)CO

InChI

InChI=1S/C21H30N2O4/c1-20(2,15-24)14-23-9-7-21(25,8-10-23)13-18-12-19(22-27-18)16-5-4-6-17(11-16)26-3/h4-6,11-12,24-25H,7-10,13-15H2,1-3H3/p+1