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

Systemtic Name: 2-[4-[4-(pyrazol-1-ylmethyl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[oxo-[4-(1-pyrazolylmethyl)phenyl]methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H28N5O2+ MolecularWeight: 382.47932

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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)CN4C=CC=N4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C21H27N5O2/c27-20(24-9-1-2-10-24)17-23-12-14-25(15-13-23)21(28)19-6-4-18(5-7-19)16-26-11-3-8-22-26/h3-8,11H,1-2,9-10,12-17H2/p+1