[(3S)-1-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-(3-fluoro-4-methoxy-benzoyl)-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-[(3-fluoro-4-methoxyphenyl)-oxomethyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-(3-fluoro-4-methoxy-benzoyl)-3-piperidyl]-methyl-phenethyl-ammonium Formula: C22H28FN2O2+ MolecularWeight: 371.468323

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C22H27FN2O2/c1-24(14-12-17-7-4-3-5-8-17)19-9-6-13-25(16-19)22(26)18-10-11-21(27-2)20(23)15-18/h3-5,7-8,10-11,15,19H,6,9,12-14,16H2,1-2H3/p+1/t19-/m0/s1