3-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]oxy-N-(2-methoxyethyl)benzamide

Systemtic Name: 3-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]oxy-N-(2-methoxyethyl)benzamide Openeye Name: 3-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]oxy-N-(2-methoxyethyl)benzamide CAS Name: 3-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-piperidin-1-iumyl]oxy]-N-(2-methoxyethyl)benzamide IUPAC Name: 3-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]oxy-N-(2-methoxyethyl)benzamide Traditional Name: 3-[1-(benzofurazan-5-ylmethyl)piperidin-1-ium-4-yl]oxy-N-(2-methoxyethyl)benzamide Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC(=CC=C1)OC2CC[NH+](CC2)CC3=CC4=NON=C4C=C3

Isomeric SMILES

COCCNC(=O)C1=CC(=CC=C1)OC2CC[NH+](CC2)CC3=CC4=NON=C4C=C3

InChI

InChI=1S/C22H26N4O4/c1-28-12-9-23-22(27)17-3-2-4-19(14-17)29-18-7-10-26(11-8-18)15-16-5-6-20-21(13-16)25-30-24-20/h2-6,13-14,18H,7-12,15H2,1H3,(H,23,27)/p+1