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

Systemtic Name: 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-ol Openeye Name: 4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-ol CAS Name: 4-[[3-(3-methoxyphenyl)-5-isoxazolyl]methyl]-1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumol IUPAC Name: 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-ol Traditional Name: 4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]-1-[4-(methylthio)benzyl]piperidin-1-ium-4-ol Formula: C24H29N2O3S+ MolecularWeight: 425.56366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O3S/c1-28-20-5-3-4-19(14-20)23-15-21(29-25-23)16-24(27)10-12-26(13-11-24)17-18-6-8-22(30-2)9-7-18/h3-9,14-15,27H,10-13,16-17H2,1-2H3/p+1