(4-chlorophenyl)methyl-[(2S)-3-(4-methoxyphenyl)sulfanyl-2-oxidanyl-propyl]azanium

Systemtic Name: (4-chlorophenyl)methyl-[(2S)-3-(4-methoxyphenyl)sulfanyl-2-oxidanyl-propyl]azanium Openeye Name: (4-chlorophenyl)methyl-[(2S)-2-hydroxy-3-(4-methoxyphenyl)sulfanyl-propyl]ammonium CAS Name: (4-chlorophenyl)methyl-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)thio]propyl]ammonium IUPAC Name: (4-chlorophenyl)methyl-[(2S)-2-hydroxy-3-(4-methoxyphenyl)sulfanylpropyl]azanium Traditional Name: (4-chlorobenzyl)-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)thio]propyl]ammonium Formula: C17H21ClNO2S+ MolecularWeight: 338.87214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(C[NH2+]CC2=CC=C(C=C2)Cl)O

Isomeric SMILES

COC1=CC=C(C=C1)SC[C@H](C[NH2+]CC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C17H20ClNO2S/c1-21-16-6-8-17(9-7-16)22-12-15(20)11-19-10-13-2-4-14(18)5-3-13/h2-9,15,19-20H,10-12H2,1H3/p+1/t15-/m0/s1