(2R)-2-[3-(4-methylpiperazin-4-ium-1-yl)carbonylpyrazol-1-yl]propanoate

Systemtic Name: (2R)-2-[3-(4-methylpiperazin-4-ium-1-yl)carbonylpyrazol-1-yl]propanoate Openeye Name: (2R)-2-[3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]propanoate CAS Name: (2R)-2-[3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-pyrazolyl]propanoate IUPAC Name: (2R)-2-[3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]propanoate Traditional Name: (2R)-2-[3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]propionate Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N1C=CC(=N1)C(=O)N2CC[NH+](CC2)C

Isomeric SMILES

C[C@H](C(=O)[O-])N1C=CC(=N1)C(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C12H18N4O3/c1-9(12(18)19)16-4-3-10(13-16)11(17)15-7-5-14(2)6-8-15/h3-4,9H,5-8H2,1-2H3,(H,18,19)/t9-/m1/s1