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

Systemtic Name: [4-[[(3S)-1-(3-fluorophenyl)carbonylpiperidin-3-yl]methoxy]phenyl]methyl-methyl-phenethyl-azanium Openeye Name: [4-[[(3S)-1-(3-fluorobenzoyl)-3-piperidyl]methoxy]phenyl]methyl-methyl-phenethyl-ammonium CAS Name: [4-[[(3S)-1-[(3-fluorophenyl)-oxomethyl]-3-piperidinyl]methoxy]phenyl]methyl-methyl-phenethylammonium IUPAC Name: [4-[[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]methyl-methyl-phenethylazanium Traditional Name: [4-[[(3S)-1-(3-fluorobenzoyl)-3-piperidyl]methoxy]benzyl]-methyl-phenethyl-ammonium Formula: C29H34FN2O2+ MolecularWeight: 461.590863

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CC2=CC=C(C=C2)OCC3CCCN(C3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CC2=CC=C(C=C2)OC[C@H]3CCCN(C3)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C29H33FN2O2/c1-31(18-16-23-7-3-2-4-8-23)20-24-12-14-28(15-13-24)34-22-25-9-6-17-32(21-25)29(33)26-10-5-11-27(30)19-26/h2-5,7-8,10-15,19,25H,6,9,16-18,20-22H2,1H3/p+1/t25-/m0/s1