ethyl 2-piperazin-4-ium-1-ylpyrimidine-5-carboxylate

Systemtic Name: ethyl 2-piperazin-4-ium-1-ylpyrimidine-5-carboxylate Openeye Name: ethyl 2-piperazin-4-ium-1-ylpyrimidine-5-carboxylate CAS Name: 2-(1-piperazin-4-iumyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-piperazin-4-ium-1-ylpyrimidine-5-carboxylate Traditional Name: 2-piperazin-4-ium-1-ylpyrimidine-5-carboxylic acid ethyl ester Formula: C11H17N4O2+ MolecularWeight: 237.27828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1)N2CC[NH2+]CC2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1)N2CC[NH2+]CC2

InChI

InChI=1S/C11H16N4O2/c1-2-17-10(16)9-7-13-11(14-8-9)15-5-3-12-4-6-15/h7-8,12H,2-6H2,1H3/p+1