2-[2-azanyl-4-(trifluoromethyl)phenyl]ethanoyl-methyl-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]-(1-phenyl-2-pyrrolidin-1-yl-ethyl)azanium

Systemtic Name: 2-[2-azanyl-4-(trifluoromethyl)phenyl]ethanoyl-methyl-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]-(1-phenyl-2-pyrrolidin-1-yl-ethyl)azanium Openeye Name: [2-[2-amino-4-(trifluoromethyl)phenyl]acetyl]-[(E)-4-hydroxy-4-oxo-but-2-enoyl]-methyl-(1-phenyl-2-pyrrolidin-1-yl-ethyl)ammonium CAS Name: [2-[2-amino-4-(trifluoromethyl)phenyl]-1-oxoethyl]-[(E)-4-hydroxy-1,4-dioxobut-2-enyl]-methyl-[1-phenyl-2-(1-pyrrolidinyl)ethyl]ammonium IUPAC Name: [2-[2-amino-4-(trifluoromethyl)phenyl]acetyl]-[(E)-4-hydroxy-4-oxobut-2-enoyl]-methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)azanium Traditional Name: [2-[2-amino-4-(trifluoromethyl)phenyl]acetyl]-[(E)-4-hydroxy-4-keto-but-2-enoyl]-methyl-(1-phenyl-2-pyrrolidino-ethyl)ammonium Formula: C26H29F3N3O4+ MolecularWeight: 504.52137

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C(CN1CCCC1)C2=CC=CC=C2)(C(=O)CC3=C(C=C(C=C3)C(F)(F)F)N)C(=O)C=CC(=O)O

Isomeric SMILES

C[N+](C(CN1CCCC1)C2=CC=CC=C2)(C(=O)CC3=C(C=C(C=C3)C(F)(F)F)N)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C26H28F3N3O4/c1-32(23(33)11-12-25(35)36,22(17-31-13-5-6-14-31)18-7-3-2-4-8-18)24(34)15-19-9-10-20(16-21(19)30)26(27,28)29/h2-4,7-12,16,22H,5-6,13-15,17,30H2,1H3/p+1/b12-11+