[(2R)-1-[methyl(2-pyridin-2-ylethyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2R)-1-[methyl(2-pyridin-2-ylethyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1R)-1-[methyl-[2-(2-pyridyl)ethyl]carbamoyl]-3-methylsulfonyl-propyl]ammonium CAS Name: [(2R)-1-[methyl-[2-(2-pyridinyl)ethyl]amino]-4-methylsulfonyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2R)-1-[methyl(2-pyridin-2-ylethyl)amino]-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1R)-3-mesyl-1-[methyl-[2-(2-pyridyl)ethyl]carbamoyl]propyl]ammonium Formula: C13H22N3O3S+ MolecularWeight: 300.39708

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C(=O)C(CCS(=O)(=O)C)[NH3+]

Isomeric SMILES

CN(CCC1=CC=CC=N1)C(=O)[C@@H](CCS(=O)(=O)C)[NH3+]

InChI

InChI=1S/C13H21N3O3S/c1-16(9-6-11-5-3-4-8-15-11)13(17)12(14)7-10-20(2,18)19/h3-5,8,12H,6-7,9-10,14H2,1-2H3/p+1/t12-/m1/s1