10-(2-diethylaminoethyl)-8-methoxy-1-methyl-benzo[g]pteridin-10-ium-2,4-dione; hydrogen sulfate

Systemtic Name: 10-(2-diethylaminoethyl)-8-methoxy-1-methyl-benzo[g]pteridin-10-ium-2,4-dione; hydrogen sulfate Openeye Name: 10-(2-diethylaminoethyl)-8-methoxy-1-methyl-benzo[g]pteridin-10-ium-2,4-dione; hydrogen sulfate CAS Name: 10-(2-diethylaminoethyl)-8-methoxy-1-methylbenzo[g]pteridin-10-ium-2,4-dione; hydrogen sulfate IUPAC Name: 10-(2-diethylaminoethyl)-8-methoxy-1-methylbenzo[g]pteridin-10-ium-2,4-dione; hydrogen sulfate Traditional Name: 10-(2-diethylaminoethyl)-8-methoxy-1-methyl-benzo[g]pteridin-10-ium-2,4-quinone bisulfate Formula: C18H25N5O7S MolecularWeight: 455.4854

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[N+]1=C2C(=NC3=C1C=C(C=C3)OC)C(=O)NC(=O)N2C.OS(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)CC[N+]1=C2C(=NC3=C1C=C(C=C3)OC)C(=O)NC(=O)N2C.OS(=O)(=O)[O-]

InChI

InChI=1S/C18H23N5O3.H2O4S/c1-5-22(6-2)9-10-23-14-11-12(26-4)7-8-13(14)19-15-16(24)20-18(25)21(3)17(15)23;1-5(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3;(H2,1,2,3,4)