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

Systemtic Name: 2-[4-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[1-(2-chlorobenzyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H27ClN5O2+ MolecularWeight: 416.92438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C21H26ClN5O2/c22-19-6-2-1-5-17(19)14-27-15-18(13-23-27)21(29)26-11-9-24(10-12-26)16-20(28)25-7-3-4-8-25/h1-2,5-6,13,15H,3-4,7-12,14,16H2/p+1