5-methoxy-2,3-dimethyl-2,3-dihydro-1,3-benzoselenazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 5-methoxy-2,3-dimethyl-2,3-dihydro-1,3-benzoselenazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 5-methoxy-2,3-dimethyl-2,3-dihydro-1,3-benzoselenazol-3-ium; 4-methylbenzenesulfonate CAS Name: 5-methoxy-2,3-dimethyl-2,3-dihydro-1,3-benzoselenazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 5-methoxy-2,3-dimethyl-2,3-dihydro-1,3-benzoselenazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 5-methoxy-2,3-dimethyl-2,3-dihydro-1,3-benzoselenazol-3-ium tosylate Formula: C17H21NO4SSe MolecularWeight: 414.37794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1[NH+](C2=C([Se]1)C=CC(=C2)OC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1[NH+](C2=C([Se]1)C=CC(=C2)OC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H13NOSe.C7H8O3S/c1-7-11(2)9-6-8(12-3)4-5-10(9)13-7;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,1-3H3;2-5H,1H3,(H,8,9,10)