(4-bromophenyl)methyl-[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-bromophenyl)methyl-[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-bromophenyl)methyl-[2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-bromophenyl)methyl-[2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl]-methylammonium IUPAC Name: (4-bromophenyl)methyl-[2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl]-methylazanium Traditional Name: (4-bromobenzyl)-[2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl]-methyl-ammonium Formula: C19H20BrFN3O+ MolecularWeight: 405.284003

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)N(CCC#N)C2=CC=CC=C2F

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)N(CCC#N)C2=CC=CC=C2F

InChI

InChI=1S/C19H19BrFN3O/c1-23(13-15-7-9-16(20)10-8-15)14-19(25)24(12-4-11-22)18-6-3-2-5-17(18)21/h2-3,5-10H,4,12-14H2,1H3/p+1