2-hydroxyethyl-[(4-methylsulfanylphenyl)methyl]-propyl-azanium

Systemtic Name: 2-hydroxyethyl-[(4-methylsulfanylphenyl)methyl]-propyl-azanium Openeye Name: 2-hydroxyethyl-[(4-methylsulfanylphenyl)methyl]-propyl-ammonium CAS Name: 2-hydroxyethyl-[[4-(methylthio)phenyl]methyl]-propylammonium IUPAC Name: 2-hydroxyethyl-[(4-methylsulfanylphenyl)methyl]-propylazanium Traditional Name: 2-hydroxyethyl-[4-(methylthio)benzyl]-propyl-ammonium Formula: C13H22NOS+ MolecularWeight: 240.38488

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCO)CC1=CC=C(C=C1)SC

Isomeric SMILES

CCC[NH+](CCO)CC1=CC=C(C=C1)SC

InChI

InChI=1S/C13H21NOS/c1-3-8-14(9-10-15)11-12-4-6-13(16-2)7-5-12/h4-7,15H,3,8-11H2,1-2H3/p+1