propan-2-yl 4-[oxidanyl(phenyl)methyl]furo[3,2-c]pyridin-5-ium-5-carboxylate

Systemtic Name: propan-2-yl 4-[oxidanyl(phenyl)methyl]furo[3,2-c]pyridin-5-ium-5-carboxylate Openeye Name: isopropyl 4-[hydroxy(phenyl)methyl]furo[3,2-c]pyridin-5-ium-5-carboxylate CAS Name: 4-[hydroxy(phenyl)methyl]-5-furo[3,2-c]pyridin-5-iumcarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[hydroxy(phenyl)methyl]furo[3,2-c]pyridin-5-ium-5-carboxylate Traditional Name: 4-[hydroxy(phenyl)methyl]furo[3,2-c]pyridin-5-ium-5-carboxylic acid isopropyl ester Formula: C18H18NO4+ MolecularWeight: 312.33982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)[N+]1=C(C2=C(C=C1)OC=C2)C(C3=CC=CC=C3)O

Isomeric SMILES

CC(C)OC(=O)[N+]1=C(C2=C(C=C1)OC=C2)C(C3=CC=CC=C3)O

InChI

InChI=1S/C18H18NO4/c1-12(2)23-18(21)19-10-8-15-14(9-11-22-15)16(19)17(20)13-6-4-3-5-7-13/h3-12,17,20H,1-2H3/q+1