5-morpholin-4-ium-4-ylpentyl-[[2-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: 5-morpholin-4-ium-4-ylpentyl-[[2-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium Openeye Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(5-morpholin-4-ium-4-ylpentyl)ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl-[5-(4-morpholin-4-iumyl)pentyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl-(5-morpholin-4-ium-4-ylpentyl)azanium Traditional Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-(5-morpholin-4-ium-4-ylpentyl)ammonium Formula: C23H42N3O3S+3 MolecularWeight: 440.66288

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCCC[NH2+]CC2=CC=CC=C2OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

C1COCC[NH+]1CCCCC[NH2+]CC2=CC=CC=C2OC[C@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C23H39N3O3S/c27-22(19-26-12-16-30-17-13-26)20-29-23-7-3-2-6-21(23)18-24-8-4-1-5-9-25-10-14-28-15-11-25/h2-3,6-7,22,24,27H,1,4-5,8-20H2/p+3/t22-/m0/s1