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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(3-morpholin-4-ylpropyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-(3-morpholinopropyl)ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-[3-(4-morpholinyl)propyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-(3-morpholin-4-ylpropyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-(3-morpholinopropyl)ammonium Formula: C22H39N3O4S+2 MolecularWeight: 441.62776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCCN2CCOCC2)OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCCN2CCOCC2)OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C22H37N3O4S/c1-27-22-15-19(16-23-5-2-6-24-7-11-28-12-8-24)3-4-21(22)29-18-20(26)17-25-9-13-30-14-10-25/h3-4,15,20,23,26H,2,5-14,16-18H2,1H3/p+2/t20-/m1/s1