(4-chlorophenyl)methyl-[(2R)-3-(4-nitrophenyl)sulfanyl-2-oxidanyl-propyl]azanium

Systemtic Name: (4-chlorophenyl)methyl-[(2R)-3-(4-nitrophenyl)sulfanyl-2-oxidanyl-propyl]azanium Openeye Name: (4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-(4-nitrophenyl)sulfanyl-propyl]ammonium CAS Name: (4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-[(4-nitrophenyl)thio]propyl]ammonium IUPAC Name: (4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-(4-nitrophenyl)sulfanylpropyl]azanium Traditional Name: (4-chlorobenzyl)-[(2R)-2-hydroxy-3-[(4-nitrophenyl)thio]propyl]ammonium Formula: C16H18ClN2O3S+ MolecularWeight: 353.84372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH2+]CC(CSC2=CC=C(C=C2)[N+](=O)[O-])O)Cl

Isomeric SMILES

C1=CC(=CC=C1C[NH2+]C[C@H](CSC2=CC=C(C=C2)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C16H17ClN2O3S/c17-13-3-1-12(2-4-13)9-18-10-15(20)11-23-16-7-5-14(6-8-16)19(21)22/h1-8,15,18,20H,9-11H2/p+1/t15-/m1/s1