[2,2-dimethyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]azaniumyl]propyl]-dimethyl-azanium

Systemtic Name: [2,2-dimethyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]azaniumyl]propyl]-dimethyl-azanium Openeye Name: [2,2-dimethyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]ammonio]propyl]-dimethyl-ammonium CAS Name: [2,2-dimethyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]ammonio]propyl]-dimethylammonium IUPAC Name: [2,2-dimethyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]azaniumyl]propyl]-dimethylazanium Traditional Name: [3-[[(1S)-1-(4-mesylphenyl)ethyl]ammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C16H30N2O2S+2 MolecularWeight: 314.4866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O2S/c1-13(17-11-16(2,3)12-18(4)5)14-7-9-15(10-8-14)21(6,19)20/h7-10,13,17H,11-12H2,1-6H3/p+2/t13-/m0/s1