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

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-(phenylmethyl)-1-piperazin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C22H31N5O+2 MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)CC4=CC=CC=C4

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+2