3-[[(E)-3-(3-azanyl-4-fluoranyl-phenyl)prop-2-enoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(E)-3-(3-azanyl-4-fluoranyl-phenyl)prop-2-enoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(E)-3-(3-amino-4-fluoro-phenyl)prop-2-enoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(E)-3-(3-amino-4-fluorophenyl)-1-oxoprop-2-enyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(E)-3-(3-amino-4-fluorophenyl)prop-2-enoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(E)-3-(3-amino-4-fluoro-phenyl)acryloyl]amino]propyl-dimethyl-ammonium Formula: C14H21FN3O+ MolecularWeight: 266.334443

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C=CC1=CC(=C(C=C1)F)N

Isomeric SMILES

C[NH+](C)CCCNC(=O)/C=C/C1=CC(=C(C=C1)F)N

InChI

InChI=1S/C14H20FN3O/c1-18(2)9-3-8-17-14(19)7-5-11-4-6-12(15)13(16)10-11/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,19)/p+1/b7-5+