2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C24H36N5O2+3 MolecularWeight: 426.57494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O2/c1-20-6-7-22(31-2)21(17-20)18-26-9-11-27(12-10-26)19-24(30)29-15-13-28(14-16-29)23-5-3-4-8-25-23/h3-8,17H,9-16,18-19H2,1-2H3/p+3