2-(3-fluorophenyl)ethyl-[1-[4-(2-phenoxyethanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: 2-(3-fluorophenyl)ethyl-[1-[4-(2-phenoxyethanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: 2-(3-fluorophenyl)ethyl-[1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]ammonium CAS Name: 2-(3-fluorophenyl)ethyl-[1-[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: 2-(3-fluorophenyl)ethyl-[1-[4-[(2-phenoxyacetyl)amino]phenyl]piperidin-4-yl]azanium Traditional Name: 2-(3-fluorophenyl)ethyl-[1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]ammonium Formula: C27H31FN3O2+ MolecularWeight: 448.552343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CCC2=CC(=CC=C2)F)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]CCC2=CC(=CC=C2)F)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C27H30FN3O2/c28-22-6-4-5-21(19-22)13-16-29-23-14-17-31(18-15-23)25-11-9-24(10-12-25)30-27(32)20-33-26-7-2-1-3-8-26/h1-12,19,23,29H,13-18,20H2,(H,30,32)/p+1