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

Systemtic Name: 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(thian-4-yl)piperidin-1-ium-4-ol Openeye Name: 4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-4-ol CAS Name: 4-[[3-(3-methoxyphenyl)-5-isoxazolyl]methyl]-1-(4-thianyl)-4-piperidin-1-iumol IUPAC Name: 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(thian-4-yl)piperidin-1-ium-4-ol Traditional Name: 4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-4-ol Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NOC(=C2)CC3(CC[NH+](CC3)C4CCSCC4)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=NOC(=C2)CC3(CC[NH+](CC3)C4CCSCC4)O

InChI

InChI=1S/C21H28N2O3S/c1-25-18-4-2-3-16(13-18)20-14-19(26-22-20)15-21(24)7-9-23(10-8-21)17-5-11-27-12-6-17/h2-4,13-14,17,24H,5-12,15H2,1H3/p+1