dimethyl-[(2R)-3-methyl-1-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]butan-2-yl]azanium

Systemtic Name: dimethyl-[(2R)-3-methyl-1-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]butan-2-yl]azanium Openeye Name: dimethyl-[(1R)-2-methyl-1-[[[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]propyl]ammonium CAS Name: dimethyl-[(2R)-3-methyl-1-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]butan-2-yl]ammonium IUPAC Name: dimethyl-[(2R)-3-methyl-1-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]butan-2-yl]azanium Traditional Name: [(1R)-1-[[[(1R)-1-(4-mesylphenyl)ethyl]amino]methyl]-2-methyl-propyl]-dimethyl-ammonium Formula: C16H29N2O2S+ MolecularWeight: 313.47866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O2S/c1-12(2)16(18(4)5)11-17-13(3)14-7-9-15(10-8-14)21(6,19)20/h7-10,12-13,16-17H,11H2,1-6H3/p+1/t13-,16+/m1/s1