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

Systemtic Name: 2-[4-[2-[4-(phenylcarbonyl)phenoxy]ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-(4-benzoylphenoxy)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[2-(4-benzoylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-(4-benzoylphenoxy)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-(4-benzoylphenoxy)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C25H30N3O4+ MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4/c29-23(27-12-4-5-13-27)18-26-14-16-28(17-15-26)24(30)19-32-22-10-8-21(9-11-22)25(31)20-6-2-1-3-7-20/h1-3,6-11H,4-5,12-19H2/p+1