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

Systemtic Name: 2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C22H32N5O+3 MolecularWeight: 382.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O/c28-22(27-16-14-26(15-17-27)21-8-4-5-9-23-21)19-25-12-10-24(11-13-25)18-20-6-2-1-3-7-20/h1-9H,10-19H2/p+3