3-[2,6-bis(azanyl)-2H-pyridin-1-yl]propane-1-sulfonate; gold(3+); chloride

Systemtic Name: 3-[2,6-bis(azanyl)-2H-pyridin-1-yl]propane-1-sulfonate; gold(3+); chloride Openeye Name: 3-(2,6-diamino-2H-pyridin-1-yl)propane-1-sulfonate; gold(3+); chloride CAS Name: 3-(2,6-diamino-2H-pyridin-1-yl)-1-propanesulfonate; gold(3+); chloride IUPAC Name: 3-(2,6-diamino-2H-pyridin-1-yl)propane-1-sulfonate; gold(3+); chloride Traditional Name: 3-(2,6-diamino-2H-pyridin-1-yl)propane-1-sulfonate; gold(3+); chloride Formula: C24H42AuClN9O9S3- MolecularWeight: 929.25973

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(N(C(=C1)N)CCCS(=O)(=O)[O-])N.C1=CC(N(C(=C1)N)CCCS(=O)(=O)[O-])N.C1=CC(N(C(=C1)N)CCCS(=O)(=O)[O-])N.[Cl-].[Au+3]

Isomeric SMILES

C1=CC(N(C(=C1)N)CCCS(=O)(=O)[O-])N.C1=CC(N(C(=C1)N)CCCS(=O)(=O)[O-])N.C1=CC(N(C(=C1)N)CCCS(=O)(=O)[O-])N.[Cl-].[Au+3]

InChI

InChI=1S/3C8H15N3O3S.Au.ClH/c3*9-7-3-1-4-8(10)11(7)5-2-6-15(12,13)14;;/h3*1,3-4,7H,2,5-6,9-10H2,(H,12,13,14);;1H/q;;;+3;/p-4