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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3/c1-16(2)7-10-23-11-8-21(24,9-12-23)15-19-14-20(22-26-19)17-5-4-6-18(13-17)25-3/h4-6,13-14,16,24H,7-12,15H2,1-3H3/p+1