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

Systemtic Name: 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-ol Openeye Name: 1-[(E)-cinnamyl]-4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]piperidin-1-ium-4-ol CAS Name: 4-[[3-(3-methoxyphenyl)-5-isoxazolyl]methyl]-1-[(E)-3-phenylprop-2-enyl]-4-piperidin-1-iumol IUPAC Name: 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-ol Traditional Name: 1-[(E)-cinnamyl]-4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]piperidin-1-ium-4-ol Formula: C25H29N2O3+ MolecularWeight: 405.50936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NOC(=C2)CC3(CC[NH+](CC3)CC=CC4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=NOC(=C2)CC3(CC[NH+](CC3)C/C=C/C4=CC=CC=C4)O

InChI

InChI=1S/C25H28N2O3/c1-29-22-11-5-10-21(17-22)24-18-23(30-26-24)19-25(28)12-15-27(16-13-25)14-6-9-20-7-3-2-4-8-20/h2-11,17-18,28H,12-16,19H2,1H3/p+1/b9-6+