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

Systemtic Name: 2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-1-[4-[(1R)-1-phenylethyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]ethanone Formula: C25H34N4O2+2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O2/c1-21(22-8-4-2-5-9-22)27-16-18-28(19-17-27)24(30)20-26-12-14-29(15-13-26)25(31)23-10-6-3-7-11-23/h2-11,21H,12-20H2,1H3/p+2/t21-/m1/s1