ethyl 4-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylpiperazin-4-ium-1-yl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N2CC[NH+](CC2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N2CC[NH+](CC2)C)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O2/c1-3-24-18(23)15-13-19-16(14-7-5-4-6-8-14)20-17(15)22-11-9-21(2)10-12-22/h4-8,13H,3,9-12H2,1-2H3/p+1