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

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-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-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl-[2-(4-methyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C21H39N4O2S+3 MolecularWeight: 411.62496

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC[NH2+]CC2=CC=CC=C2OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

C[NH+]1CCN(CC1)CC[NH2+]CC2=CC=CC=C2OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C21H36N4O2S/c1-23-8-10-24(11-9-23)7-6-22-16-19-4-2-3-5-21(19)27-18-20(26)17-25-12-14-28-15-13-25/h2-5,20,22,26H,6-18H2,1H3/p+3/t20-/m1/s1