1-[2-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C19H20N3O3+ MolecularWeight: 338.3804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)C[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)C[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C19H19N3O3/c1-13-9-17(14(2)22(13)11-16-6-4-8-25-16)18(23)12-21-7-3-5-15(10-21)19(20)24/h3-10H,11-12H2,1-2H3,(H-,20,24)/p+1