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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(pyridin-2-ylmethyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-(2-pyridylmethyl)ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-(2-pyridinylmethyl)ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-(2-pyridylmethyl)ammonium Formula: C21H31N3O3S+2 MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC=N2)OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC=N2)OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C21H29N3O3S/c1-26-21-12-17(13-22-14-18-4-2-3-7-23-18)5-6-20(21)27-16-19(25)15-24-8-10-28-11-9-24/h2-7,12,19,22,25H,8-11,13-16H2,1H3/p+2/t19-/m1/s1