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

Systemtic Name: 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(3-methylsulfanylpropyl)piperidin-1-ium-4-ol Openeye Name: 4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]-1-(3-methylsulfanylpropyl)piperidin-1-ium-4-ol CAS Name: 4-[[3-(3-methoxyphenyl)-5-isoxazolyl]methyl]-1-[3-(methylthio)propyl]-4-piperidin-1-iumol IUPAC Name: 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(3-methylsulfanylpropyl)piperidin-1-ium-4-ol Traditional Name: 4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]-1-[3-(methylthio)propyl]piperidin-1-ium-4-ol Formula: C20H29N2O3S+ MolecularWeight: 377.52086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3S/c1-24-17-6-3-5-16(13-17)19-14-18(25-21-19)15-20(23)7-10-22(11-8-20)9-4-12-26-2/h3,5-6,13-14,23H,4,7-12,15H2,1-2H3/p+1