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

Systemtic Name: 2,1,3-benzoxadiazol-4-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 2,1,3-benzoxadiazol-4-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: 2,1,3-benzoxadiazol-4-ylmethyl-[[1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 2,1,3-benzoxadiazol-4-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: benzofurazan-4-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C22H31N5O2+2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=NC=C2)CC3=CC=CC4=NON=C43

Isomeric SMILES

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=NC=C2)CC3=CC=CC4=NON=C43

InChI

InChI=1S/C22H29N5O2/c1-28-14-13-26-11-7-19(8-12-26)16-27(15-18-5-9-23-10-6-18)17-20-3-2-4-21-22(20)25-29-24-21/h2-6,9-10,19H,7-8,11-17H2,1H3/p+2