8-[(2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-yl)disulfanyl]-2,4-dimethyl-1H-1,5-benzodiazepin-5-ium; hydrogen sulfate

Systemtic Name: 8-[(2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-yl)disulfanyl]-2,4-dimethyl-1H-1,5-benzodiazepin-5-ium; hydrogen sulfate Openeye Name: 8-[(2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-yl)disulfanyl]-2,4-dimethyl-1H-1,5-benzodiazepin-5-ium; hydrogen sulfate CAS Name: 8-[(2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-yl)disulfanyl]-2,4-dimethyl-1H-1,5-benzodiazepin-5-ium; hydrogen sulfate IUPAC Name: 8-[(2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-yl)disulfanyl]-2,4-dimethyl-1H-1,5-benzodiazepin-5-ium; hydrogen sulfate Traditional Name: 8-[(2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-yl)disulfanyl]-2,4-dimethyl-1H-1,5-benzodiazepin-5-ium dibisulfate Formula: C22H26N4O8S4 MolecularWeight: 602.72384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C(N1)C=C(C=C2)SSC3=CC4=C(C=C3)[NH+]=C(C=C(N4)C)C)C.OS(=O)(=O)[O-].OS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=[NH+]C2=C(N1)C=C(C=C2)SSC3=CC4=C(C=C3)[NH+]=C(C=C(N4)C)C)C.OS(=O)(=O)[O-].OS(=O)(=O)[O-]

InChI

InChI=1S/C22H22N4S2.2H2O4S/c1-13-9-15(3)25-21-11-17(5-7-19(21)23-13)27-28-18-6-8-20-22(12-18)26-16(4)10-14(2)24-20;2*1-5(2,3)4/h5-12,25-26H,1-4H3;2*(H2,1,2,3,4)