cyclohexylazanium; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanedioate

Systemtic Name: cyclohexylazanium; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanedioate Openeye Name: cyclohexylammonium; 2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]pentanedioate CAS Name: cyclohexylammonium; 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]pentanedioate IUPAC Name: cyclohexylazanium; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanedioate Traditional Name: cyclohexylammonium; 2-(naphthionylamino)glutarate Formula: C29H46N4O6S MolecularWeight: 578.76374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CCC(=O)[O-])C(=O)[O-].C1CCC(CC1)[NH3+].C1CCC(CC1)[NH3+]

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CCC(=O)[O-])C(=O)[O-].C1CCC(CC1)[NH3+].C1CCC(CC1)[NH3+]

InChI

InChI=1S/C17H20N2O6S.2C6H13N/c1-19(2)14-7-3-6-12-11(14)5-4-8-15(12)26(24,25)18-13(17(22)23)9-10-16(20)21;2*7-6-4-2-1-3-5-6/h3-8,13,18H,9-10H2,1-2H3,(H,20,21)(H,22,23);2*6H,1-5,7H2