(2-chlorophenyl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]azanium

Systemtic Name: (2-chlorophenyl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]azanium Openeye Name: (2-chlorophenyl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ammonium CAS Name: (2-chlorophenyl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ammonium IUPAC Name: (2-chlorophenyl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]azanium Traditional Name: (2-chlorobenzyl)-[(1S)-1-(4-mesylphenyl)ethyl]ammonium Formula: C16H19ClNO2S+ MolecularWeight: 324.84556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)[NH2+]CC2=CC=CC=C2Cl

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)C)[NH2+]CC2=CC=CC=C2Cl

InChI

InChI=1S/C16H18ClNO2S/c1-12(18-11-14-5-3-4-6-16(14)17)13-7-9-15(10-8-13)21(2,19)20/h3-10,12,18H,11H2,1-2H3/p+1/t12-/m0/s1