[4-azanyl-4-[bis(fluoranyl)methyl]-5-oxidanyl-5-oxidanylidene-pentyl]-ethylidene-(4-methylphenyl)azanium

Systemtic Name: [4-azanyl-4-[bis(fluoranyl)methyl]-5-oxidanyl-5-oxidanylidene-pentyl]-ethylidene-(4-methylphenyl)azanium Openeye Name: (4-amino-4-carboxy-5,5-difluoro-pentyl)-ethylidene-(p-tolyl)ammonium CAS Name: (4-amino-4-carboxy-5,5-difluoropentyl)-ethylidene-(4-methylphenyl)ammonium IUPAC Name: (4-amino-4-carboxy-5,5-difluoropentyl)-ethylidene-(4-methylphenyl)azanium Traditional Name: (4-amino-4-carboxy-5,5-difluoro-pentyl)-ethylidene-(p-tolyl)ammonium Formula: C15H21F2N2O2+ MolecularWeight: 299.336246

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Descriptors Computed from Structure

Canonical SMILES:

CC=[N+](CCCC(C(F)F)(C(=O)O)N)C1=CC=C(C=C1)C

Isomeric SMILES

CC=[N+](CCCC(C(F)F)(C(=O)O)N)C1=CC=C(C=C1)C

InChI

InChI=1S/C15H20F2N2O2/c1-3-19(12-7-5-11(2)6-8-12)10-4-9-15(18,13(16)17)14(20)21/h3,5-8,13H,4,9-10,18H2,1-2H3/p+1