[(2S)-5-methylhexan-2-yl]-[(1R)-1-(4-methylsulfonylphenyl)ethyl]azanium

Systemtic Name: [(2S)-5-methylhexan-2-yl]-[(1R)-1-(4-methylsulfonylphenyl)ethyl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[(1R)-1-(4-methylsulfonylphenyl)ethyl]ammonium CAS Name: [(2S)-5-methylhexan-2-yl]-[(1R)-1-(4-methylsulfonylphenyl)ethyl]ammonium IUPAC Name: [(2S)-5-methylhexan-2-yl]-[(1R)-1-(4-methylsulfonylphenyl)ethyl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-[(1R)-1-(4-mesylphenyl)ethyl]ammonium Formula: C16H28NO2S+ MolecularWeight: 298.46402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO2S/c1-12(2)6-7-13(3)17-14(4)15-8-10-16(11-9-15)20(5,18)19/h8-14,17H,6-7H2,1-5H3/p+1/t13-,14+/m0/s1