3-[2-[1-(phenylcarbonyl)piperazin-1-ium-1-yl]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[1-(phenylcarbonyl)piperazin-1-ium-1-yl]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-(1-benzoylpiperazin-1-ium-1-yl)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-(1-benzoyl-1-piperazin-1-iumyl)-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(1-benzoylpiperazin-1-ium-1-yl)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-(1-benzoylpiperazin-1-ium-1-yl)-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(C2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[N+](CCN1)(C2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3/c29-23(30)10-9-20-8-7-19(18-27-14-4-11-26-27)17-22(20)28(15-12-25-13-16-28)24(31)21-5-2-1-3-6-21/h1-8,11,14,17,25H,9-10,12-13,15-16,18H2/p+1