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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(2-pyridin-3-yloxyethyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-[2-(3-pyridyloxy)ethyl]ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-[2-(3-pyridinyloxy)ethyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-(2-pyridin-3-yloxyethyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-[2-(3-pyridyloxy)ethyl]ammonium Formula: C22H33N3O4S+2 MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCOC2=CN=CC=C2)OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCOC2=CN=CC=C2)OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C22H31N3O4S/c1-27-22-13-18(14-24-7-10-28-20-3-2-6-23-15-20)4-5-21(22)29-17-19(26)16-25-8-11-30-12-9-25/h2-6,13,15,19,24,26H,7-12,14,16-17H2,1H3/p+2/t19-/m1/s1