[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-methyl-(1,2-oxazol-3-ylmethyl)azanium

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-methyl-(1,2-oxazol-3-ylmethyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-(isoxazol-3-ylmethyl)-methyl-ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-(3-isoxazolylmethyl)-methylammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-methyl-(1,2-oxazol-3-ylmethyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-(isoxazol-3-ylmethyl)-methyl-ammonium Formula: C20H31N3O4S+2 MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OCC(C[NH+]2CCSCC2)O)OC)CC3=NOC=C3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCSCC2)O)OC)CC3=NOC=C3

InChI

InChI=1S/C20H29N3O4S/c1-22(13-17-5-8-27-21-17)12-16-3-4-19(20(11-16)25-2)26-15-18(24)14-23-6-9-28-10-7-23/h3-5,8,11,18,24H,6-7,9-10,12-15H2,1-2H3/p+2/t18-/m1/s1