1,3-dimethyl-8-[4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]purin-3-ium-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]purin-3-ium-2,6-dione Openeye Name: 1,3-dimethyl-8-[4-[2-oxo-2-(1-piperidyl)ethoxy]phenyl]purin-3-ium-2,6-dione CAS Name: 1,3-dimethyl-8-[4-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]purin-3-ium-2,6-dione IUPAC Name: 1,3-dimethyl-8-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]purin-3-ium-2,6-dione Traditional Name: 8-[4-(2-keto-2-piperidino-ethoxy)phenyl]-1,3-dimethyl-purin-3-ium-2,6-quinone Formula: C20H22N5O4+ MolecularWeight: 396.41978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)C3=CC=C(C=C3)OCC(=O)N4CCCCC4

Isomeric SMILES

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)C3=CC=C(C=C3)OCC(=O)N4CCCCC4

InChI

InChI=1S/C20H22N5O4/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)13-6-8-14(9-7-13)29-12-15(26)25-10-4-3-5-11-25/h6-9H,3-5,10-12H2,1-2H3/q+1