5-[(2-methoxy-4-propyl-phenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide

Systemtic Name: 5-[(2-methoxy-4-propyl-phenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide Openeye Name: 5-[(2-methoxy-4-propyl-phenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide CAS Name: 5-[(2-methoxy-4-propylphenoxy)methyl]-N-(3-pyridin-1-iumylmethyl)-2-furancarboxamide IUPAC Name: 5-[(2-methoxy-4-propylphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide Traditional Name: 5-[(2-methoxy-4-propyl-phenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)-2-furamide Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NCC3=C[NH+]=CC=C3)OC

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NCC3=C[NH+]=CC=C3)OC

InChI

InChI=1S/C22H24N2O4/c1-3-5-16-7-9-19(21(12-16)26-2)27-15-18-8-10-20(28-18)22(25)24-14-17-6-4-11-23-13-17/h4,6-13H,3,5,14-15H2,1-2H3,(H,24,25)/p+1