1-methyl-5-[3-(4-methylpiperazin-4-ium-1-yl)propylcarbamoyl]pyrazole-4-carboxylate

Systemtic Name: 1-methyl-5-[3-(4-methylpiperazin-4-ium-1-yl)propylcarbamoyl]pyrazole-4-carboxylate Openeye Name: 1-methyl-5-[3-(4-methylpiperazin-4-ium-1-yl)propylcarbamoyl]pyrazole-4-carboxylate CAS Name: 1-methyl-5-[[3-(4-methyl-1-piperazin-4-iumyl)propylamino]-oxomethyl]-4-pyrazolecarboxylate IUPAC Name: 1-methyl-5-[3-(4-methylpiperazin-4-ium-1-yl)propylcarbamoyl]pyrazole-4-carboxylate Traditional Name: 1-methyl-5-[3-(4-methylpiperazin-4-ium-1-yl)propylcarbamoyl]pyrazole-4-carboxylate Formula: C14H23N5O3 MolecularWeight: 309.36412

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCCNC(=O)C2=C(C=NN2C)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CCCNC(=O)C2=C(C=NN2C)C(=O)[O-]

InChI

InChI=1S/C14H23N5O3/c1-17-6-8-19(9-7-17)5-3-4-15-13(20)12-11(14(21)22)10-16-18(12)2/h10H,3-9H2,1-2H3,(H,15,20)(H,21,22)