N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C

InChI

InChI=1S/C22H31N5O2/c1-17-15-18(2)27(24-17)10-4-9-23-22(29)16-25-11-13-26(14-12-25)21-7-5-20(6-8-21)19(3)28/h5-8,15H,4,9-14,16H2,1-3H3,(H,23,29)/p+1