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

Systemtic Name: 2-[(2R)-2-(4-chlorophenyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[(2R)-2-(4-chlorophenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[(2R)-2-(4-chlorophenyl)-4-hydroxy-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-1-yl]ethyl-diethylammonium IUPAC Name: 2-[(2R)-2-(4-chlorophenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]ethyl-diethylazanium Traditional Name: 2-[(2R)-2-(4-chlorophenyl)-4-hydroxy-5-keto-3-[(E)-3-phenylacryloyl]-3-pyrrolin-1-yl]ethyl-diethyl-ammonium Formula: C25H28ClN2O3+ MolecularWeight: 439.95442

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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)Cl

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)Cl

InChI

InChI=1S/C25H27ClN2O3/c1-3-27(4-2)16-17-28-23(19-11-13-20(26)14-12-19)22(24(30)25(28)31)21(29)15-10-18-8-6-5-7-9-18/h5-15,23,30H,3-4,16-17H2,1-2H3/p+1/b15-10+/t23-/m1/s1