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

Systemtic Name: 2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C23H34N5O+3 MolecularWeight: 396.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H31N5O/c1-20-6-2-3-7-21(20)18-25-10-12-26(13-11-25)19-23(29)28-16-14-27(15-17-28)22-8-4-5-9-24-22/h2-9H,10-19H2,1H3/p+3