(4-carboxyphenyl)methyl-[(3,5-dimethylphenyl)methyl]azanium hexafluorophosphate

Systemtic Name: (4-carboxyphenyl)methyl-[(3,5-dimethylphenyl)methyl]azanium hexafluorophosphate Openeye Name: (4-carboxyphenyl)methyl-[(3,5-dimethylphenyl)methyl]ammonium hexafluorophosphate CAS Name: (4-carboxyphenyl)methyl-[(3,5-dimethylphenyl)methyl]ammonium hexafluorophosphate IUPAC Name: (4-carboxyphenyl)methyl-[(3,5-dimethylphenyl)methyl]azanium hexafluorophosphate Traditional Name: (4-carboxybenzyl)-(3,5-dimethylbenzyl)ammonium hexafluorophosphate Formula: C17H20F6NO2P MolecularWeight: 415.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)O)C.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CC1=CC(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)O)C.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C17H19NO2.F6P/c1-12-7-13(2)9-15(8-12)11-18-10-14-3-5-16(6-4-14)17(19)20;1-7(2,3,4,5)6/h3-9,18H,10-11H2,1-2H3,(H,19,20);/q;-1/p+1