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

Systemtic Name: dicyclopropylmethyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium Openeye Name: dicyclopropylmethyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: dicyclopropylmethyl-[[4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: dicyclopropylmethyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: dicyclopropylmethyl-[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C22H36N2O3S+2 MolecularWeight: 408.59784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C(C2CC2)C3CC3)OCC(C[NH+]4CCSCC4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C(C2CC2)C3CC3)OC[C@@H](C[NH+]4CCSCC4)O

InChI

InChI=1S/C22H34N2O3S/c1-26-21-12-16(13-23-22(17-3-4-17)18-5-6-18)2-7-20(21)27-15-19(25)14-24-8-10-28-11-9-24/h2,7,12,17-19,22-23,25H,3-6,8-11,13-15H2,1H3/p+2/t19-/m1/s1