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

Systemtic Name: 2-(furan-2-yl)ethyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2-(2-furyl)ethyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 2-(2-furanyl)ethyl-[[4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 2-(furan-2-yl)ethyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 2-(2-furyl)ethyl-[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C21H32N2O4S+2 MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCC2=CC=CO2)OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCC2=CC=CO2)OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C21H30N2O4S/c1-25-21-13-17(14-22-7-6-19-3-2-10-26-19)4-5-20(21)27-16-18(24)15-23-8-11-28-12-9-23/h2-5,10,13,18,22,24H,6-9,11-12,14-16H2,1H3/p+2/t18-/m1/s1