2-[(2S)-2-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2S)-2-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-2-[4-(2-amino-2-oxo-ethoxy)phenyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-2-[4-(2-amino-2-oxoethoxy)phenyl]-4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-2-[4-(2-amino-2-oxoethoxy)phenyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S)-2-[4-(2-amino-2-keto-ethoxy)phenyl]-4-hydroxy-5-keto-3-(5-methyl-2-furoyl)-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C22H26N3O6+ MolecularWeight: 428.45834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)OCC(=O)N)CC[NH+](C)C)O

Isomeric SMILES

CC1=CC=C(O1)C(=O)C2=C(C(=O)N([C@H]2C3=CC=C(C=C3)OCC(=O)N)CC[NH+](C)C)O

InChI

InChI=1S/C22H25N3O6/c1-13-4-9-16(31-13)20(27)18-19(25(11-10-24(2)3)22(29)21(18)28)14-5-7-15(8-6-14)30-12-17(23)26/h4-9,19,28H,10-12H2,1-3H3,(H2,23,26)/p+1/t19-/m0/s1