7-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 7-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione Openeye Name: 7-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione CAS Name: 7-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione IUPAC Name: 7-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione Traditional Name: 7-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C15H24N6O3+2 MolecularWeight: 336.38946

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C[N+]2=CNC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C[N+]2=CNC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C15H22N6O3/c1-4-19-5-7-20(8-6-19)11(22)9-21-10-16-13-12(21)14(23)18(3)15(24)17(13)2/h10H,4-9H2,1-3H3/p+2