2-[4-(4-pyrazol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(4-pyrazol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4-pyrazol-1-ylbenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4-pyrazol-1-ylbenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(4-pyrazol-1-ylbenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H25N5O2/c26-19(23-9-1-2-10-23)16-22-12-14-24(15-13-22)20(27)17-4-6-18(7-5-17)25-11-3-8-21-25/h3-8,11H,1-2,9-10,12-16H2/p+1