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

Systemtic Name: ethyl 1-[2-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate Openeye Name: ethyl 1-[2-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[2-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C21H23N2O4+ MolecularWeight: 367.41832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](=CC=C1)CC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C

Isomeric SMILES

CCOC(=O)C1=C[N+](=CC=C1)CC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C

InChI

InChI=1S/C21H23N2O4/c1-4-26-21(25)17-7-5-9-22(12-17)14-20(24)19-11-15(2)23(16(19)3)13-18-8-6-10-27-18/h5-12H,4,13-14H2,1-3H3/q+1