2,1,3-benzoxadiazol-4-ylmethyl-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: 2,1,3-benzoxadiazol-4-ylmethyl-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 2,1,3-benzoxadiazol-4-ylmethyl-[[1-(1-methyl-4-piperidyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: 2,1,3-benzoxadiazol-4-ylmethyl-[[1-(1-methyl-4-piperidinyl)-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 2,1,3-benzoxadiazol-4-ylmethyl-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: benzofurazan-4-ylmethyl-[[1-(1-methyl-4-piperidyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C25H36N6O+2 MolecularWeight: 436.59294

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CC3=CC=NC=C3)CC4=CC=CC5=NON=C54

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CC3=CC=NC=C3)CC4=CC=CC5=NON=C54

InChI

InChI=1S/C25H34N6O/c1-29-13-9-23(10-14-29)31-15-7-21(8-16-31)18-30(17-20-5-11-26-12-6-20)19-22-3-2-4-24-25(22)28-32-27-24/h2-6,11-12,21,23H,7-10,13-19H2,1H3/p+2