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

Systemtic Name: 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-2-methylbutyl]piperidin-1-ium-4-ol Openeye Name: 4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]-1-[(2S)-2-methylbutyl]piperidin-1-ium-4-ol CAS Name: 4-[[3-(3-methoxyphenyl)-5-isoxazolyl]methyl]-1-[(2S)-2-methylbutyl]-4-piperidin-1-iumol IUPAC Name: 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-2-methylbutyl]piperidin-1-ium-4-ol Traditional Name: 4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]-1-[(2S)-2-methylbutyl]piperidin-1-ium-4-ol Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3/c1-4-16(2)15-23-10-8-21(24,9-11-23)14-19-13-20(22-26-19)17-6-5-7-18(12-17)25-3/h5-7,12-13,16,24H,4,8-11,14-15H2,1-3H3/p+1/t16-/m0/s1