1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-1-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethanone Formula: C25H34N4O3+2 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O3/c30-24(21-27-13-17-29(18-14-27)25(31)22-7-3-1-4-8-22)28-15-11-26(12-16-28)19-20-32-23-9-5-2-6-10-23/h1-10H,11-21H2/p+2