cyclooctyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: cyclooctyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium Openeye Name: cyclooctyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: cyclooctyl-[[4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: cyclooctyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: cyclooctyl-[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C23H40N2O3S+2 MolecularWeight: 424.6403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CCCCCCC2)OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2CCCCCCC2)OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C23H38N2O3S/c1-27-23-15-19(16-24-20-7-5-3-2-4-6-8-20)9-10-22(23)28-18-21(26)17-25-11-13-29-14-12-25/h9-10,15,20-21,24,26H,2-8,11-14,16-18H2,1H3/p+2/t21-/m1/s1