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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-methyl-(3-pyridylmethyl)ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-methyl-(3-pyridylmethyl)ammonium Formula: C22H33N3O3S+2 MolecularWeight: 419.58072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S/c1-24(15-19-4-3-7-23-13-19)14-18-5-6-21(22(12-18)27-2)28-17-20(26)16-25-8-10-29-11-9-25/h3-7,12-13,20,26H,8-11,14-17H2,1-2H3/p+2/t20-/m1/s1