1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(2,3-dihydrobenzofuran-5-ylmethyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(coumaran-5-ylmethyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C26H36N4O2+2 MolecularWeight: 436.58964

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CN=CC=C2)C3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CN=CC=C2)C3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C26H34N4O2/c31-26(28-18-21-2-1-10-27-17-21)22-5-13-30(14-6-22)24-7-11-29(12-8-24)19-20-3-4-25-23(16-20)9-15-32-25/h1-4,10,16-17,22,24H,5-9,11-15,18-19H2,(H,28,31)/p+2