2-[4-[[2-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[[2-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[[2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[[2-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[[2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C23H40N4O3S+2 MolecularWeight: 452.6537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38N4O3S/c1-19(2)24-23(29)17-26-9-7-25(8-10-26)15-20-5-3-4-6-22(20)30-18-21(28)16-27-11-13-31-14-12-27/h3-6,19,21,28H,7-18H2,1-2H3,(H,24,29)/p+2/t21-/m1/s1