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

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)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=C3)Cl)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC=CC=[NH+]4

InChI

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