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

Systemtic Name: 2-[4-[2-(2-chlorophenyl)quinolin-4-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[2-(2-chlorophenyl)-4-quinolinyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C26H28ClN4O2+ MolecularWeight: 463.97912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

InChI

InChI=1S/C26H27ClN4O2/c27-22-9-3-1-8-20(22)24-17-21(19-7-2-4-10-23(19)28-24)26(33)31-15-13-29(14-16-31)18-25(32)30-11-5-6-12-30/h1-4,7-10,17H,5-6,11-16,18H2/p+1