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

Systemtic Name: diethyl-[2-[(2S)-4-oxidanyl-5-oxidanylidene-2-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]ethyl]azanium Openeye Name: diethyl-[2-[(2S)-4-hydroxy-5-oxo-2-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]ethyl]ammonium CAS Name: diethyl-[2-[(2S)-4-hydroxy-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2-phenyl-2H-pyrrol-1-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[(2S)-4-hydroxy-5-oxo-2-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]ethyl]azanium Traditional Name: diethyl-[2-[(5S)-3-hydroxy-2-keto-5-phenyl-4-[(E)-3-phenylacryloyl]-3-pyrrolin-1-yl]ethyl]ammonium Formula: C25H29N2O3+ MolecularWeight: 405.50936

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3/c1-3-26(4-2)17-18-27-23(20-13-9-6-10-14-20)22(24(29)25(27)30)21(28)16-15-19-11-7-5-8-12-19/h5-16,23,29H,3-4,17-18H2,1-2H3/p+1/b16-15+/t23-/m0/s1