2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-piperazine-1,4-diiumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(4-chlorobenzyl)piperazine-1,4-diium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C22H31ClN5O+3 MolecularWeight: 416.96744

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)Cl)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)Cl)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H28ClN5O/c23-20-6-4-19(5-7-20)17-25-9-11-26(12-10-25)18-22(29)28-15-13-27(14-16-28)21-3-1-2-8-24-21/h1-8H,9-18H2/p+3