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

Systemtic Name: 4-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]oxy-3-chloranyl-N-(2-methoxyethyl)benzamide Openeye Name: 4-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]oxy-3-chloro-N-(2-methoxyethyl)benzamide CAS Name: 4-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-piperidin-1-iumyl]oxy]-3-chloro-N-(2-methoxyethyl)benzamide IUPAC Name: 4-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]oxy-3-chloro-N-(2-methoxyethyl)benzamide Traditional Name: 4-[1-(benzofurazan-5-ylmethyl)piperidin-1-ium-4-yl]oxy-3-chloro-N-(2-methoxyethyl)benzamide Formula: C22H26ClN4O4+ MolecularWeight: 445.91924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O4/c1-29-11-8-24-22(28)16-3-5-21(18(23)13-16)30-17-6-9-27(10-7-17)14-15-2-4-19-20(12-15)26-31-25-19/h2-5,12-13,17H,6-11,14H2,1H3,(H,24,28)/p+1