2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylazaniumyl]ethyl-methylsulfonyl-azanide

Systemtic Name: 2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylazaniumyl]ethyl-methylsulfonyl-azanide Openeye Name: 2-[(4-hydroxy-3,5-dimethyl-phenyl)methylammonio]ethyl-methylsulfonyl-azanide CAS Name: 2-[(4-hydroxy-3,5-dimethylphenyl)methylammonio]ethyl-methylsulfonylazanide IUPAC Name: 2-[(4-hydroxy-3,5-dimethylphenyl)methylazaniumyl]ethyl-methylsulfonylazanide Traditional Name: 2-[(4-hydroxy-3,5-dimethyl-benzyl)ammonio]ethyl-mesyl-azanide Formula: C12H20N2O3S MolecularWeight: 272.3638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C[NH2+]CC[N-]S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[NH2+]CC[N-]S(=O)(=O)C

InChI

InChI=1S/C12H19N2O3S/c1-9-6-11(7-10(2)12(9)15)8-13-4-5-14-18(3,16)17/h6-7,13,15H,4-5,8H2,1-3H3/q-1/p+1