7-chloranyl-8-methoxy-10-(2-pyrrolidin-1-ium-1-ylethyl)benzo[g]pteridine-2,4-dione ethanoate

Systemtic Name: 7-chloranyl-8-methoxy-10-(2-pyrrolidin-1-ium-1-ylethyl)benzo[g]pteridine-2,4-dione ethanoate Openeye Name: 7-chloro-8-methoxy-10-(2-pyrrolidin-1-ium-1-ylethyl)benzo[g]pteridine-2,4-dione acetate CAS Name: 7-chloro-8-methoxy-10-[2-(1-pyrrolidin-1-iumyl)ethyl]benzo[g]pteridine-2,4-dione acetate IUPAC Name: 7-chloro-8-methoxy-10-(2-pyrrolidin-1-ium-1-ylethyl)benzo[g]pteridine-2,4-dione acetate Traditional Name: 7-chloro-8-methoxy-10-(2-pyrrolidin-1-ium-1-ylethyl)benzo[g]pteridine-2,4-quinone acetate Formula: C19H22ClN5O5 MolecularWeight: 435.86148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].COC1=C(C=C2C(=C1)N(C3=NC(=O)NC(=O)C3=N2)CC[NH+]4CCCC4)Cl

Isomeric SMILES

CC(=O)[O-].COC1=C(C=C2C(=C1)N(C3=NC(=O)NC(=O)C3=N2)CC[NH+]4CCCC4)Cl

InChI

InChI=1S/C17H18ClN5O3.C2H4O2/c1-26-13-9-12-11(8-10(13)18)19-14-15(20-17(25)21-16(14)24)23(12)7-6-22-4-2-3-5-22;1-2(3)4/h8-9H,2-7H2,1H3,(H,21,24,25);1H3,(H,3,4)