[4-[2-chloranyl-4-(3-phenoxyphenyl)sulfanyl-phenyl]-2-(hydroxymethyl)-1-oxidanyl-butan-2-yl]azanium

Systemtic Name: [4-[2-chloranyl-4-(3-phenoxyphenyl)sulfanyl-phenyl]-2-(hydroxymethyl)-1-oxidanyl-butan-2-yl]azanium Openeye Name: [3-[2-chloro-4-(3-phenoxyphenyl)sulfanyl-phenyl]-1,1-bis(hydroxymethyl)propyl]ammonium CAS Name: [4-[2-chloro-4-[(3-phenoxyphenyl)thio]phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]ammonium IUPAC Name: [4-[2-chloro-4-(3-phenoxyphenyl)sulfanylphenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]azanium Traditional Name: [3-[2-chloro-4-[(3-phenoxyphenyl)thio]phenyl]-1,1-dimethylol-propyl]ammonium Formula: C23H25ClNO3S+ MolecularWeight: 430.9675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCC(CO)(CO)[NH3+])Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCC(CO)(CO)[NH3+])Cl

InChI

InChI=1S/C23H24ClNO3S/c24-22-14-21(10-9-17(22)11-12-23(25,15-26)16-27)29-20-8-4-7-19(13-20)28-18-5-2-1-3-6-18/h1-10,13-14,26-27H,11-12,15-16,25H2/p+1