2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(3-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=C1)C[NH+]2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

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