phenyl-(5-propan-2-yloxycarbonylfuro[3,2-c]pyridin-5-ium-4-yl)methanolate

Systemtic Name: phenyl-(5-propan-2-yloxycarbonylfuro[3,2-c]pyridin-5-ium-4-yl)methanolate Openeye Name: (5-isopropoxycarbonylfuro[3,2-c]pyridin-5-ium-4-yl)-phenyl-methanolate CAS Name: [5-[oxo(propan-2-yloxy)methyl]-4-furo[3,2-c]pyridin-5-iumyl]-phenylmethanolate IUPAC Name: phenyl-(5-propan-2-yloxycarbonylfuro[3,2-c]pyridin-5-ium-4-yl)methanolate Traditional Name: (5-isopropoxycarbonylfuro[3,2-c]pyridin-5-ium-4-yl)-phenyl-methanolate Formula: C18H17NO4 MolecularWeight: 311.33188

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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/C18H17NO4/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/h3-12,17H,1-2H3