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

Systemtic Name: [4-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-(hydroxymethyl)-1-oxidanyl-butan-2-yl]azanium Openeye Name: [3-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-1,1-bis(hydroxymethyl)propyl]ammonium CAS Name: [4-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]ammonium IUPAC Name: [4-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]azanium Traditional Name: [3-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-1,1-dimethylol-propyl]ammonium Formula: C24H27ClNO3S+ MolecularWeight: 444.99408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCC(CO)(CO)[NH3+])Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCC(CO)(CO)[NH3+])Cl

InChI

InChI=1S/C24H26ClNO3S/c25-23-14-22(10-9-19(23)11-12-24(26,16-27)17-28)30-21-8-4-7-20(13-21)29-15-18-5-2-1-3-6-18/h1-10,13-14,27-28H,11-12,15-17,26H2/p+1