(4-acetyloxyphenyl)methyl-(furan-2-ylmethyl)-(pyridin-2-ylmethyl)azanium

Systemtic Name: (4-acetyloxyphenyl)methyl-(furan-2-ylmethyl)-(pyridin-2-ylmethyl)azanium Openeye Name: (4-acetoxyphenyl)methyl-(2-furylmethyl)-(2-pyridylmethyl)ammonium CAS Name: (4-acetyloxyphenyl)methyl-(2-furanylmethyl)-(2-pyridinylmethyl)ammonium IUPAC Name: (4-acetyloxyphenyl)methyl-(furan-2-ylmethyl)-(pyridin-2-ylmethyl)azanium Traditional Name: (4-acetoxybenzyl)-(2-furfuryl)-(2-pyridylmethyl)ammonium Formula: C20H21N2O3+ MolecularWeight: 337.39234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C[NH+](CC2=CC=CC=N2)CC3=CC=CO3

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C[NH+](CC2=CC=CC=N2)CC3=CC=CO3

InChI

InChI=1S/C20H20N2O3/c1-16(23)25-19-9-7-17(8-10-19)13-22(15-20-6-4-12-24-20)14-18-5-2-3-11-21-18/h2-12H,13-15H2,1H3/p+1