methyl-[[2-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]-(1H-pyrazol-5-ylmethyl)azanium

Systemtic Name: methyl-[[2-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]-(1H-pyrazol-5-ylmethyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-methyl-(1H-pyrazol-5-ylmethyl)ammonium Formula: C19H30N4O2S+2 MolecularWeight: 378.5321

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1OCC(C[NH+]2CCSCC2)O)CC3=CC=NN3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1OC[C@@H](C[NH+]2CCSCC2)O)CC3=CC=NN3

InChI

InChI=1S/C19H28N4O2S/c1-22(13-17-6-7-20-21-17)12-16-4-2-3-5-19(16)25-15-18(24)14-23-8-10-26-11-9-23/h2-7,18,24H,8-15H2,1H3,(H,20,21)/p+2/t18-/m1/s1