2-[(2R)-2-(3,4-dimethoxyphenyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[(2R)-2-(3,4-dimethoxyphenyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[(2R)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[(2R)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-1-yl]ethyl-diethylammonium IUPAC Name: 2-[(2R)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]ethyl-diethylazanium Traditional Name: 2-[(2R)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-keto-3-[(E)-3-phenylacryloyl]-3-pyrrolin-1-yl]ethyl-diethyl-ammonium Formula: C27H33N2O5+ MolecularWeight: 465.56132

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)O)C(=O)C=CC2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O5/c1-5-28(6-2)16-17-29-25(20-13-15-22(33-3)23(18-20)34-4)24(26(31)27(29)32)21(30)14-12-19-10-8-7-9-11-19/h7-15,18,25,31H,5-6,16-17H2,1-4H3/p+1/b14-12+/t25-/m1/s1