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

Systemtic Name: 2-(1-methylpyrazol-4-yl)ethyl-[[2-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium Openeye Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-[2-(1-methylpyrazol-4-yl)ethyl]ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl-[2-(1-methyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl-[2-(1-methylpyrazol-4-yl)ethyl]azanium Traditional Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-[2-(1-methylpyrazol-4-yl)ethyl]ammonium Formula: C20H32N4O2S+2 MolecularWeight: 392.55868

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CC[NH2+]CC2=CC=CC=C2OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

CN1C=C(C=N1)CC[NH2+]CC2=CC=CC=C2OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C20H30N4O2S/c1-23-14-17(12-22-23)6-7-21-13-18-4-2-3-5-20(18)26-16-19(25)15-24-8-10-27-11-9-24/h2-5,12,14,19,21,25H,6-11,13,15-16H2,1H3/p+2/t19-/m1/s1