2-[4-(phenylcarbonyl)phenoxy]-1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[4-(phenylcarbonyl)phenoxy]-1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-benzoylphenoxy)-1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-benzoylphenoxy)-1-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-benzoylphenoxy)-1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-benzoylphenoxy)-1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]ethanone Formula: C25H33N3O3+2 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3/c29-24(28-18-16-27(17-19-28)15-14-26-12-4-5-13-26)20-31-23-10-8-22(9-11-23)25(30)21-6-2-1-3-7-21/h1-3,6-11H,4-5,12-20H2/p+2