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

Systemtic Name: 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-pentan-3-yl-piperidin-1-ium-4-ol Openeye Name: 1-(1-ethylpropyl)-4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]piperidin-1-ium-4-ol CAS Name: 4-[[3-(3-methoxyphenyl)-5-isoxazolyl]methyl]-1-pentan-3-yl-4-piperidin-1-iumol IUPAC Name: 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-pentan-3-ylpiperidin-1-ium-4-ol Traditional Name: 1-(1-ethylpropyl)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3/c1-4-17(5-2)23-11-9-21(24,10-12-23)15-19-14-20(22-26-19)16-7-6-8-18(13-16)25-3/h6-8,13-14,17,24H,4-5,9-12,15H2,1-3H3/p+1