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

Systemtic Name: 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-ol Openeye Name: 1-[(2-allyloxyphenyl)methyl]-4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]piperidin-1-ium-4-ol CAS Name: 4-[[3-(3-methoxyphenyl)-5-isoxazolyl]methyl]-1-[(2-prop-2-enoxyphenyl)methyl]-4-piperidin-1-iumol IUPAC Name: 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-ol Traditional Name: 1-(2-allyloxybenzyl)-4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]piperidin-1-ium-4-ol Formula: C26H31N2O4+ MolecularWeight: 435.53534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NOC(=C2)CC3(CC[NH+](CC3)CC4=CC=CC=C4OCC=C)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=NOC(=C2)CC3(CC[NH+](CC3)CC4=CC=CC=C4OCC=C)O

InChI

InChI=1S/C26H30N2O4/c1-3-15-31-25-10-5-4-7-21(25)19-28-13-11-26(29,12-14-28)18-23-17-24(27-32-23)20-8-6-9-22(16-20)30-2/h3-10,16-17,29H,1,11-15,18-19H2,2H3/p+1