1-[3-(dimethylazaniumyl)propyl]-3-(furan-2-ylcarbonyl)-5-oxidanylidene-2-(3-propoxyphenyl)-2H-pyrrol-4-olate

Systemtic Name: 1-[3-(dimethylazaniumyl)propyl]-3-(furan-2-ylcarbonyl)-5-oxidanylidene-2-(3-propoxyphenyl)-2H-pyrrol-4-olate Openeye Name: 1-[3-(dimethylammonio)propyl]-3-(furan-2-carbonyl)-5-oxo-2-(3-propoxyphenyl)-2H-pyrrol-4-olate CAS Name: 1-[3-(dimethylammonio)propyl]-3-[2-furanyl(oxo)methyl]-5-oxo-2-(3-propoxyphenyl)-2H-pyrrol-4-olate IUPAC Name: 1-[3-(dimethylazaniumyl)propyl]-3-(furan-2-carbonyl)-5-oxo-2-(3-propoxyphenyl)-2H-pyrrol-4-olate Traditional Name: 1-[3-(dimethylammonio)propyl]-4-(2-furoyl)-2-keto-5-(3-propoxyphenyl)-3-pyrrolin-3-olate Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCC[NH+](C)C)[O-])C(=O)C3=CC=CO3

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCC[NH+](C)C)[O-])C(=O)C3=CC=CO3

InChI

InChI=1S/C23H28N2O5/c1-4-13-29-17-9-5-8-16(15-17)20-19(21(26)18-10-6-14-30-18)22(27)23(28)25(20)12-7-11-24(2)3/h5-6,8-10,14-15,20,27H,4,7,11-13H2,1-3H3