2-(3-methylimidazol-3-ium-1-yl)ethyl 3-[(phenylmethyl)amino]propanoate hexafluorophosphate

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 3-[(phenylmethyl)amino]propanoate hexafluorophosphate Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 3-(benzylamino)propanoate hexafluorophosphate CAS Name: 3-[(phenylmethyl)amino]propanoic acid 2-(3-methyl-1-imidazol-3-iumyl)ethyl ester hexafluorophosphate IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 3-(benzylamino)propanoate hexafluorophosphate Traditional Name: 3-(benzylamino)propionic acid 2-(3-methylimidazol-3-ium-1-yl)ethyl ester hexafluorophosphate Formula: C16H22F6N3O2P MolecularWeight: 433.32896

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCOC(=O)CCNCC2=CC=CC=C2.F[P-](F)(F)(F)(F)F

Isomeric SMILES

C[N+]1=CN(C=C1)CCOC(=O)CCNCC2=CC=CC=C2.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C16H22N3O2.F6P/c1-18-9-10-19(14-18)11-12-21-16(20)7-8-17-13-15-5-3-2-4-6-15;1-7(2,3,4,5)6/h2-6,9-10,14,17H,7-8,11-13H2,1H3;/q+1;-1