2-[(2S)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-oxidanyl-5-oxidanylidene-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2S)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-oxidanyl-5-oxidanylidene-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-5-oxo-2-(4-pyridyl)-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-3-[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5S)-4-[(E)-3-(2-furyl)acryloyl]-3-hydroxy-2-keto-5-(4-pyridyl)-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C20H22N3O4+ MolecularWeight: 368.40638

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(C(=C(C1=O)O)C(=O)C=CC2=CC=CO2)C3=CC=NC=C3

Isomeric SMILES

C[NH+](C)CCN1[C@H](C(=C(C1=O)O)C(=O)/C=C/C2=CC=CO2)C3=CC=NC=C3

InChI

InChI=1S/C20H21N3O4/c1-22(2)11-12-23-18(14-7-9-21-10-8-14)17(19(25)20(23)26)16(24)6-5-15-4-3-13-27-15/h3-10,13,18,25H,11-12H2,1-2H3/p+1/b6-5+/t18-/m0/s1