2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(3-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=C4)Cl

Isomeric SMILES

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

InChI

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