2-[[(1S)-1-(4-methyl-2-oxidanyl-phenyl)ethyl]azaniumyl]ethyl-methylsulfonyl-azanide

Systemtic Name: 2-[[(1S)-1-(4-methyl-2-oxidanyl-phenyl)ethyl]azaniumyl]ethyl-methylsulfonyl-azanide Openeye Name: 2-[[(1S)-1-(2-hydroxy-4-methyl-phenyl)ethyl]ammonio]ethyl-methylsulfonyl-azanide CAS Name: 2-[[(1S)-1-(2-hydroxy-4-methylphenyl)ethyl]ammonio]ethyl-methylsulfonylazanide IUPAC Name: 2-[[(1S)-1-(2-hydroxy-4-methylphenyl)ethyl]azaniumyl]ethyl-methylsulfonylazanide Traditional Name: 2-[[(1S)-1-(2-hydroxy-4-methyl-phenyl)ethyl]ammonio]ethyl-mesyl-azanide Formula: C12H20N2O3S MolecularWeight: 272.3638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)[NH2+]CC[N-]S(=O)(=O)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)[C@H](C)[NH2+]CC[N-]S(=O)(=O)C)O

InChI

InChI=1S/C12H19N2O3S/c1-9-4-5-11(12(15)8-9)10(2)13-6-7-14-18(3,16)17/h4-5,8,10,13,15H,6-7H2,1-3H3/q-1/p+1/t10-/m0/s1