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

Systemtic Name: 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-ol Openeye Name: 4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]-1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-4-ol CAS Name: 4-[[3-(3-methoxyphenyl)-5-isoxazolyl]methyl]-1-[(5-methyl-2-thiophenyl)methyl]-4-piperidin-1-iumol IUPAC Name: 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-ol Traditional Name: 4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]-1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-4-ol Formula: C22H27N2O3S+ MolecularWeight: 399.52638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCC(CC2)(CC3=CC(=NO3)C4=CC(=CC=C4)OC)O

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCC(CC2)(CC3=CC(=NO3)C4=CC(=CC=C4)OC)O

InChI

InChI=1S/C22H26N2O3S/c1-16-6-7-20(28-16)15-24-10-8-22(25,9-11-24)14-19-13-21(23-27-19)17-4-3-5-18(12-17)26-2/h3-7,12-13,25H,8-11,14-15H2,1-2H3/p+1