(1-ethylpiperidin-1-ium-4-yl)-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azanium

Systemtic Name: (1-ethylpiperidin-1-ium-4-yl)-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azanium Openeye Name: (1-ethylpiperidin-1-ium-4-yl)-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]ammonium CAS Name: (1-ethyl-4-piperidin-1-iumyl)-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]ammonium IUPAC Name: (1-ethylpiperidin-1-ium-4-yl)-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azanium Traditional Name: (1-ethylpiperidin-1-ium-4-yl)-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]ammonium Formula: C22H36N6+4 MolecularWeight: 384.56144

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)[NH2+]CC2=C([NH+]=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC[NH+]1CCC(CC1)[NH2+]CC2=C([NH+]=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H32N6/c1-2-26-12-8-20(9-13-26)25-18-19-6-5-11-24-22(19)28-16-14-27(15-17-28)21-7-3-4-10-23-21/h3-7,10-11,20,25H,2,8-9,12-18H2,1H3/p+4