[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-methyl-[(1-methylpyrazol-4-yl)methyl]azanium

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-methyl-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-methyl-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-methyl-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C21H34N4O3S+2 MolecularWeight: 422.58466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+](C)CC2=CC(=C(C=C2)OCC(C[NH+]3CCSCC3)O)OC

Isomeric SMILES

CN1C=C(C=N1)C[NH+](C)CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCSCC3)O)OC

InChI

InChI=1S/C21H32N4O3S/c1-23(13-18-11-22-24(2)14-18)12-17-4-5-20(21(10-17)27-3)28-16-19(26)15-25-6-8-29-9-7-25/h4-5,10-11,14,19,26H,6-9,12-13,15-16H2,1-3H3/p+2/t19-/m1/s1