2-(1,4-diethylpiperazin-1-ium-1-yl)pyrimidine-4,5-dicarboxylic acid

Systemtic Name: 2-(1,4-diethylpiperazin-1-ium-1-yl)pyrimidine-4,5-dicarboxylic acid Openeye Name: 2-(1,4-diethylpiperazin-1-ium-1-yl)pyrimidine-4,5-dicarboxylic acid CAS Name: 2-(1,4-diethyl-1-piperazin-1-iumyl)pyrimidine-4,5-dicarboxylic acid IUPAC Name: 2-(1,4-diethylpiperazin-1-ium-1-yl)pyrimidine-4,5-dicarboxylic acid Traditional Name: 2-(1,4-diethylpiperazin-1-ium-1-yl)pyrimidine-4,5-dicarboxylic acid Formula: C14H21N4O4+ MolecularWeight: 309.34094

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[N+](CC1)(CC)C2=NC=C(C(=N2)C(=O)O)C(=O)O

Isomeric SMILES

CCN1CC[N+](CC1)(CC)C2=NC=C(C(=N2)C(=O)O)C(=O)O

InChI

InChI=1S/C14H20N4O4/c1-3-17-5-7-18(4-2,8-6-17)14-15-9-10(12(19)20)11(16-14)13(21)22/h9H,3-8H2,1-2H3,(H-,19,20,21,22)/p+1