7-chloranyl-10-(2-oxidanyl-3-piperidin-1-ium-1-yl-propyl)benzo[g]pteridine-2,4-dione; hydrogen sulfate

Systemtic Name: 7-chloranyl-10-(2-oxidanyl-3-piperidin-1-ium-1-yl-propyl)benzo[g]pteridine-2,4-dione; hydrogen sulfate Openeye Name: 7-chloro-10-(2-hydroxy-3-piperidin-1-ium-1-yl-propyl)benzo[g]pteridine-2,4-dione; hydrogen sulfate CAS Name: 7-chloro-10-[2-hydroxy-3-(1-piperidin-1-iumyl)propyl]benzo[g]pteridine-2,4-dione; hydrogen sulfate IUPAC Name: 7-chloro-10-(2-hydroxy-3-piperidin-1-ium-1-ylpropyl)benzo[g]pteridine-2,4-dione; hydrogen sulfate Traditional Name: 7-chloro-10-(2-hydroxy-3-piperidin-1-ium-1-yl-propyl)benzo[g]pteridine-2,4-quinone bisulfate Formula: C18H22ClN5O7S MolecularWeight: 487.91458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(CN2C3=C(C=C(C=C3)Cl)N=C4C2=NC(=O)NC4=O)O.OS(=O)(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC(CN2C3=C(C=C(C=C3)Cl)N=C4C2=NC(=O)NC4=O)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C18H20ClN5O3.H2O4S/c19-11-4-5-14-13(8-11)20-15-16(21-18(27)22-17(15)26)24(14)10-12(25)9-23-6-2-1-3-7-23;1-5(2,3)4/h4-5,8,12,25H,1-3,6-7,9-10H2,(H,22,26,27);(H2,1,2,3,4)