2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C21H28ClN5O+2 MolecularWeight: 401.93292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H26ClN5O/c22-18-5-1-2-6-19(18)25-11-9-24(10-12-25)17-21(28)27-15-13-26(14-16-27)20-7-3-4-8-23-20/h1-8H,9-17H2/p+2