2-[(2S)-2-(2,3-dimethoxyphenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[(2S)-2-(2,3-dimethoxyphenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[(2S)-2-(2,3-dimethoxyphenyl)-4-hydroxy-3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[(2S)-2-(2,3-dimethoxyphenyl)-4-hydroxy-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-2H-pyrrol-1-yl]ethyl-diethylammonium IUPAC Name: 2-[(2S)-2-(2,3-dimethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]ethyl-diethylazanium Traditional Name: 2-[(2S)-2-(2,3-dimethoxyphenyl)-4-hydroxy-5-keto-3-(7-methoxybenzofuran-2-carbonyl)-3-pyrrolin-1-yl]ethyl-diethyl-ammonium Formula: C28H33N2O7+ MolecularWeight: 509.57082

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)O)C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=C(C(=CC=C4)OC)OC

Isomeric SMILES

CC[NH+](CC)CCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=C(C(=CC=C4)OC)OC

InChI

InChI=1S/C28H32N2O7/c1-6-29(7-2)14-15-30-23(18-11-9-13-20(35-4)27(18)36-5)22(25(32)28(30)33)24(31)21-16-17-10-8-12-19(34-3)26(17)37-21/h8-13,16,23,32H,6-7,14-15H2,1-5H3/p+1/t23-/m0/s1