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

Systemtic Name: 3-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]oxy-N-cyclopropyl-4-methoxy-benzamide Openeye Name: 3-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]oxy-N-cyclopropyl-4-methoxy-benzamide CAS Name: 3-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-piperidin-1-iumyl]oxy]-N-cyclopropyl-4-methoxybenzamide IUPAC Name: 3-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]oxy-N-cyclopropyl-4-methoxybenzamide Traditional Name: 3-[1-(benzofurazan-5-ylmethyl)piperidin-1-ium-4-yl]oxy-N-cyclopropyl-4-methoxy-benzamide Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2CC2)OC3CC[NH+](CC3)CC4=CC5=NON=C5C=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2CC2)OC3CC[NH+](CC3)CC4=CC5=NON=C5C=C4

InChI

InChI=1S/C23H26N4O4/c1-29-21-7-3-16(23(28)24-17-4-5-17)13-22(21)30-18-8-10-27(11-9-18)14-15-2-6-19-20(12-15)26-31-25-19/h2-3,6-7,12-13,17-18H,4-5,8-11,14H2,1H3,(H,24,28)/p+1