4-(4-chlorophenyl)sulfanylbutyl-(2-hydroxyethyl)azanium

Systemtic Name: 4-(4-chlorophenyl)sulfanylbutyl-(2-hydroxyethyl)azanium Openeye Name: 4-(4-chlorophenyl)sulfanylbutyl-(2-hydroxyethyl)ammonium CAS Name: 4-[(4-chlorophenyl)thio]butyl-(2-hydroxyethyl)ammonium IUPAC Name: 4-(4-chlorophenyl)sulfanylbutyl-(2-hydroxyethyl)azanium Traditional Name: 4-[(4-chlorophenyl)thio]butyl-(2-hydroxyethyl)ammonium Formula: C12H19ClNOS+ MolecularWeight: 260.80336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCCC[NH2+]CCO)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCCC[NH2+]CCO)Cl

InChI

InChI=1S/C12H18ClNOS/c13-11-3-5-12(6-4-11)16-10-2-1-7-14-8-9-15/h3-6,14-15H,1-2,7-10H2/p+1