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

Systemtic Name: N-cyclopropyl-2-[4-(4-pyrazol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-(4-pyrazol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(4-pyrazol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-(4-pyrazol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C19H24N5O2+ MolecularWeight: 354.42616

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C19H23N5O2/c25-18(21-16-4-5-16)14-22-10-12-23(13-11-22)19(26)15-2-6-17(7-3-15)24-9-1-8-20-24/h1-3,6-9,16H,4-5,10-14H2,(H,21,25)/p+1