butyl 3-azanyl-3-oxidanylidene-2-[4-(1-pyridin-4-ylpiperidin-4-yl)phenoxy]propanoate hexafluorophosphate

Systemtic Name: butyl 3-azanyl-3-oxidanylidene-2-[4-(1-pyridin-4-ylpiperidin-4-yl)phenoxy]propanoate hexafluorophosphate Openeye Name: butyl 3-amino-3-oxo-2-[4-[1-(4-pyridyl)-4-piperidyl]phenoxy]propanoate hexafluorophosphate CAS Name: 3-amino-3-oxo-2-[4-(1-pyridin-4-yl-4-piperidinyl)phenoxy]propanoic acid butyl ester hexafluorophosphate IUPAC Name: butyl 3-amino-3-oxo-2-[4-(1-pyridin-4-ylpiperidin-4-yl)phenoxy]propanoate hexafluorophosphate Traditional Name: 3-amino-3-keto-2-[4-[1-(4-pyridyl)-4-piperidyl]phenoxy]propionic acid butyl ester hexafluorophosphate Formula: C23H29F6N3O4P- MolecularWeight: 556.45824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C(=O)N)OC1=CC=C(C=C1)C2CCN(CC2)C3=CC=NC=C3.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCCOC(=O)C(C(=O)N)OC1=CC=C(C=C1)C2CCN(CC2)C3=CC=NC=C3.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C23H29N3O4.F6P/c1-2-3-16-29-23(28)21(22(24)27)30-20-6-4-17(5-7-20)18-10-14-26(15-11-18)19-8-12-25-13-9-19;1-7(2,3,4,5)6/h4-9,12-13,18,21H,2-3,10-11,14-16H2,1H3,(H2,24,27);/q;-1