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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C23H35N3O3S+2 MolecularWeight: 433.6073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)CC2=CC(=C(C=C2)OCC(C[NH+]3CCSCC3)O)OC

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCSCC3)O)OC

InChI

InChI=1S/C23H33N3O3S/c1-25(10-8-20-5-3-4-9-24-20)16-19-6-7-22(23(15-19)28-2)29-18-21(27)17-26-11-13-30-14-12-26/h3-7,9,15,21,27H,8,10-14,16-18H2,1-2H3/p+2/t21-/m1/s1