[(1R)-2-azanyl-1-(4-fluorophenyl)-2-oxidanylidene-ethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: [(1R)-2-azanyl-1-(4-fluorophenyl)-2-oxidanylidene-ethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [(1R)-2-amino-1-(4-fluorophenyl)-2-oxo-ethyl]-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-methyl-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [(1R)-2-amino-1-(4-fluorophenyl)-2-keto-ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C21H27FN3O+ MolecularWeight: 356.456983

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCCCC2)C(C3=CC=C(C=C3)F)C(=O)N

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCCCC2)[C@H](C3=CC=C(C=C3)F)C(=O)N

InChI

InChI=1S/C21H26FN3O/c1-24(20(21(23)26)16-9-11-18(22)12-10-16)15-17-7-3-4-8-19(17)25-13-5-2-6-14-25/h3-4,7-12,20H,2,5-6,13-15H2,1H3,(H2,23,26)/p+1/t20-/m1/s1