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

Systemtic Name: 1-benzothiophen-2-ylmethyl-[[2-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium Openeye Name: benzothiophen-2-ylmethyl-[[2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]ammonium CAS Name: 1-benzothiophen-2-ylmethyl-[[2-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-[[2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl]azanium Traditional Name: benzothiophen-2-ylmethyl-[2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]ammonium Formula: C23H30N2O2S2+2 MolecularWeight: 430.6265

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC(COC2=CC=CC=C2C[NH2+]CC3=CC4=CC=CC=C4S3)O

Isomeric SMILES

C1CSCC[NH+]1C[C@@H](COC2=CC=CC=C2C[NH2+]CC3=CC4=CC=CC=C4S3)O

InChI

InChI=1S/C23H28N2O2S2/c26-20(16-25-9-11-28-12-10-25)17-27-22-7-3-1-6-19(22)14-24-15-21-13-18-5-2-4-8-23(18)29-21/h1-8,13,20,24,26H,9-12,14-17H2/p+2/t20-/m0/s1