1,1,3-trimethyl-7-(4-methyl-1,4-diazepan-1-yl)purin-1-ium-2,6-dione

Systemtic Name: 1,1,3-trimethyl-7-(4-methyl-1,4-diazepan-1-yl)purin-1-ium-2,6-dione Openeye Name: 1,1,3-trimethyl-7-(4-methyl-1,4-diazepan-1-yl)purin-1-ium-2,6-dione CAS Name: 1,1,3-trimethyl-7-(4-methyl-1,4-diazepan-1-yl)purin-1-ium-2,6-dione IUPAC Name: 1,1,3-trimethyl-7-(4-methyl-1,4-diazepan-1-yl)purin-1-ium-2,6-dione Traditional Name: 1,1,3-trimethyl-7-(4-methyl-1,4-diazepan-1-yl)purin-1-ium-2,6-quinone Formula: C14H23N6O2+ MolecularWeight: 307.37142

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)N2C=NC3=C2C(=O)[N+](C(=O)N3C)(C)C

Isomeric SMILES

CN1CCCN(CC1)N2C=NC3=C2C(=O)[N+](C(=O)N3C)(C)C

InChI

InChI=1S/C14H23N6O2/c1-16-6-5-7-18(9-8-16)19-10-15-12-11(19)13(21)20(3,4)14(22)17(12)2/h10H,5-9H2,1-4H3/q+1