2-[[(3R)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3R)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3R)-3-(1-ethyl-3-indolyl)-3-(4-fluorophenyl)-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(3R)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanoyl]amino]ethyl-dimethyl-ammonium Formula: C23H29FN3O+ MolecularWeight: 382.494263

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(CC(=O)NCC[NH+](C)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)[C@H](CC(=O)NCC[NH+](C)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN3O/c1-4-27-16-21(19-7-5-6-8-22(19)27)20(17-9-11-18(24)12-10-17)15-23(28)25-13-14-26(2)3/h5-12,16,20H,4,13-15H2,1-3H3,(H,25,28)/p+1/t20-/m1/s1