sodium 5-(dimethylamino)-2-[(4-dimethylaminophenyl)methyl]benzenesulfonate

Systemtic Name: sodium 5-(dimethylamino)-2-[(4-dimethylaminophenyl)methyl]benzenesulfonate Openeye Name: sodium 5-(dimethylamino)-2-[(4-dimethylaminophenyl)methyl]benzenesulfonate CAS Name: sodium 5-(dimethylamino)-2-[(4-dimethylaminophenyl)methyl]benzenesulfonate IUPAC Name: sodium 5-(dimethylamino)-2-[(4-dimethylaminophenyl)methyl]benzenesulfonate Traditional Name: sodium 5-(dimethylamino)-2-[4-(dimethylamino)benzyl]besylate Formula: C17H21N2NaO3S MolecularWeight: 356.41501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CC2=C(C=C(C=C2)N(C)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CC2=C(C=C(C=C2)N(C)C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H22N2O3S.Na/c1-18(2)15-8-5-13(6-9-15)11-14-7-10-16(19(3)4)12-17(14)23(20,21)22;/h5-10,12H,11H2,1-4H3,(H,20,21,22);/q;+1/p-1