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

Systemtic Name: 2-(2-aminophenyl)ethanoyl-methyl-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]-(1-phenyl-2-pyrrolidin-1-yl-ethyl)azanium Openeye Name: [2-(2-aminophenyl)acetyl]-[(E)-4-hydroxy-4-oxo-but-2-enoyl]-methyl-(1-phenyl-2-pyrrolidin-1-yl-ethyl)ammonium CAS Name: [2-(2-aminophenyl)-1-oxoethyl]-[(E)-4-hydroxy-1,4-dioxobut-2-enyl]-methyl-[1-phenyl-2-(1-pyrrolidinyl)ethyl]ammonium IUPAC Name: [2-(2-aminophenyl)acetyl]-[(E)-4-hydroxy-4-oxobut-2-enoyl]-methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)azanium Traditional Name: [2-(2-aminophenyl)acetyl]-[(E)-4-hydroxy-4-keto-but-2-enoyl]-methyl-(1-phenyl-2-pyrrolidino-ethyl)ammonium Formula: C25H30N3O4+ MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C(CN1CCCC1)C2=CC=CC=C2)(C(=O)CC3=CC=CC=C3N)C(=O)C=CC(=O)O

Isomeric SMILES

C[N+](C(CN1CCCC1)C2=CC=CC=C2)(C(=O)CC3=CC=CC=C3N)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C25H29N3O4/c1-28(23(29)13-14-25(31)32,24(30)17-20-11-5-6-12-21(20)26)22(18-27-15-7-8-16-27)19-9-3-2-4-10-19/h2-6,9-14,22H,7-8,15-18,26H2,1H3/p+1/b14-13+