4-pyridin-1-ium-2-yl-N-[1-[[1-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylamino]cyclohexyl]methyl]cyclohexyl]piperazine-1-carboxamide

Systemtic Name: 4-pyridin-1-ium-2-yl-N-[1-[[1-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylamino]cyclohexyl]methyl]cyclohexyl]piperazine-1-carboxamide Openeye Name: 4-pyridin-1-ium-2-yl-N-[1-[[1-[(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]piperazine-1-carboxamide CAS Name: N-[1-[[1-[[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]amino]cyclohexyl]methyl]cyclohexyl]-4-(2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: 4-pyridin-1-ium-2-yl-N-[1-[[1-[(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]piperazine-1-carboxamide Traditional Name: 4-pyridin-1-ium-2-yl-N-[1-[[1-[(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]piperazine-1-carboxamide Formula: C33H50N8O2+2 MolecularWeight: 590.8025

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2(CCCCC2)NC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)NC(=O)N5CCN(CC5)C6=CC=CC=[NH+]6

Isomeric SMILES

C1CCC(CC1)(CC2(CCCCC2)NC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)NC(=O)N5CCN(CC5)C6=CC=CC=[NH+]6

InChI

InChI=1S/C33H48N8O2/c42-30(40-23-19-38(20-24-40)28-11-3-9-17-34-28)36-32(13-5-1-6-14-32)27-33(15-7-2-8-16-33)37-31(43)41-25-21-39(22-26-41)29-12-4-10-18-35-29/h3-4,9-12,17-18H,1-2,5-8,13-16,19-27H2,(H,36,42)(H,37,43)/p+2