[2-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(1-phenylcyclopropyl)azanium

Systemtic Name: [2-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(1-phenylcyclopropyl)azanium Openeye Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(1-phenylcyclopropyl)ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl-(1-phenylcyclopropyl)ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl-(1-phenylcyclopropyl)azanium Traditional Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-(1-phenylcyclopropyl)ammonium Formula: C23H32N2O2S+2 MolecularWeight: 400.57738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=CC=C2)[NH2+]CC3=CC=CC=C3OCC(C[NH+]4CCSCC4)O

Isomeric SMILES

C1CC1(C2=CC=CC=C2)[NH2+]CC3=CC=CC=C3OC[C@H](C[NH+]4CCSCC4)O

InChI

InChI=1S/C23H30N2O2S/c26-21(17-25-12-14-28-15-13-25)18-27-22-9-5-4-6-19(22)16-24-23(10-11-23)20-7-2-1-3-8-20/h1-9,21,24,26H,10-18H2/p+2/t21-/m0/s1