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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C20H32N4O3S+2 MolecularWeight: 408.55808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH2+]CC2=CC(=C(C=C2)OCC(C[NH+]3CCSCC3)O)OC

Isomeric SMILES

CN1C=C(C=N1)C[NH2+]CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCSCC3)O)OC

InChI

InChI=1S/C20H30N4O3S/c1-23-13-17(12-22-23)11-21-10-16-3-4-19(20(9-16)26-2)27-15-18(25)14-24-5-7-28-8-6-24/h3-4,9,12-13,18,21,25H,5-8,10-11,14-15H2,1-2H3/p+2/t18-/m1/s1