4-[(5-methoxycarbonyl-1H-pyrrol-2-yl)carbonylamino]butylazanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 4-[(5-methoxycarbonyl-1H-pyrrol-2-yl)carbonylamino]butylazanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 4-[(5-methoxycarbonyl-1H-pyrrole-2-carbonyl)amino]butylammonium; 2,2,2-trifluoroacetate CAS Name: 4-[[(5-methoxycarbonyl-1H-pyrrol-2-yl)-oxomethyl]amino]butylammonium; 2,2,2-trifluoroacetate IUPAC Name: 4-[(5-methoxycarbonyl-1H-pyrrole-2-carbonyl)amino]butylazanium; 2,2,2-trifluoroacetate Traditional Name: 4-[(5-carbomethoxy-1H-pyrrole-2-carbonyl)amino]butylammonium; 2,2,2-trifluoroacetate Formula: C13H18F3N3O5 MolecularWeight: 353.29433

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(N1)C(=O)NCCCC[NH3+].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(N1)C(=O)NCCCC[NH3+].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C11H17N3O3.C2HF3O2/c1-17-11(16)9-5-4-8(14-9)10(15)13-7-3-2-6-12;3-2(4,5)1(6)7/h4-5,14H,2-3,6-7,12H2,1H3,(H,13,15);(H,6,7)