N-butyl-2-[4-(4-pyrazol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-(4-pyrazol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(4-pyrazol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-(4-pyrazol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-(4-pyrazol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C20H27N5O2/c1-2-3-9-21-19(26)16-23-12-14-24(15-13-23)20(27)17-5-7-18(8-6-17)25-11-4-10-22-25/h4-8,10-11H,2-3,9,12-16H2,1H3,(H,21,26)/p+1