[(2S)-2-ethylhexyl]-[(1R)-1-(4-methylsulfonylphenyl)ethyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[(1R)-1-(4-methylsulfonylphenyl)ethyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(1R)-1-(4-methylsulfonylphenyl)ethyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[(1R)-1-(4-methylsulfonylphenyl)ethyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(1R)-1-(4-methylsulfonylphenyl)ethyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-[(1R)-1-(4-mesylphenyl)ethyl]ammonium Formula: C17H30NO2S+ MolecularWeight: 312.4906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO2S/c1-5-7-8-15(6-2)13-18-14(3)16-9-11-17(12-10-16)21(4,19)20/h9-12,14-15,18H,5-8,13H2,1-4H3/p+1/t14-,15+/m1/s1