3-[[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propanoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-3-(4-fluorophenyl)-3-(4-isopropoxyphenyl)propanoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-3-(4-fluorophenyl)-1-oxo-3-(4-propan-2-yloxyphenyl)propyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propanoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-3-(4-fluorophenyl)-3-(4-isopropoxyphenyl)propanoyl]amino]propyl-dimethyl-ammonium Formula: C23H32FN2O2+ MolecularWeight: 387.510783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CC(=O)NCCC[NH+](C)C)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@H](CC(=O)NCCC[NH+](C)C)C2=CC=C(C=C2)F

InChI

InChI=1S/C23H31FN2O2/c1-17(2)28-21-12-8-19(9-13-21)22(18-6-10-20(24)11-7-18)16-23(27)25-14-5-15-26(3)4/h6-13,17,22H,5,14-16H2,1-4H3,(H,25,27)/p+1/t22-/m1/s1