2-[4-[2-[4-(4-chlorophenyl)carbonylphenoxy]ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-[4-(4-chlorophenyl)carbonylphenoxy]ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-1-oxoethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C25H29ClN3O4+ MolecularWeight: 470.96846

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClN3O4/c26-21-7-3-19(4-8-21)25(32)20-5-9-22(10-6-20)33-18-24(31)29-15-13-27(14-16-29)17-23(30)28-11-1-2-12-28/h3-10H,1-2,11-18H2/p+1