5-azanyl-2-methyl-phenol; 1,1-bis(methylsulfonyl)aziridin-1-ium

Systemtic Name: 5-azanyl-2-methyl-phenol; 1,1-bis(methylsulfonyl)aziridin-1-ium Openeye Name: 5-amino-2-methyl-phenol; 1,1-bis(methylsulfonyl)aziridin-1-ium CAS Name: 5-amino-2-methylphenol; 1,1-bis(methylsulfonyl)aziridin-1-ium IUPAC Name: 5-amino-2-methylphenol; 1,1-bis(methylsulfonyl)aziridin-1-ium Traditional Name: 5-amino-2-methyl-phenol; 1,1-dimesylethylenimin-1-ium Formula: C11H19N2O5S2+ MolecularWeight: 323.40896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)O.CS(=O)(=O)[N+]1(CC1)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N)O.CS(=O)(=O)[N+]1(CC1)S(=O)(=O)C

InChI

InChI=1S/C7H9NO.C4H10NO4S2/c1-5-2-3-6(8)4-7(5)9;1-10(6,7)5(3-4-5)11(2,8)9/h2-4,9H,8H2,1H3;3-4H2,1-2H3/q;+1