(2-azanyl-2-oxidanylidene-ethyl)-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-propan-2-yl-azanium

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-propan-2-yl-azanium Openeye Name: (2-amino-2-oxo-ethyl)-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]-isopropyl-ammonium CAS Name: (2-amino-2-oxoethyl)-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylammonium IUPAC Name: (2-amino-2-oxoethyl)-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylazanium Traditional Name: (2-amino-2-keto-ethyl)-[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]-isopropyl-ammonium Formula: C13H18BrFN3O2+ MolecularWeight: 347.203323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC(=O)N)CC(=O)NC1=C(C=C(C=C1)Br)F

Isomeric SMILES

CC(C)[NH+](CC(=O)N)CC(=O)NC1=C(C=C(C=C1)Br)F

InChI

InChI=1S/C13H17BrFN3O2/c1-8(2)18(6-12(16)19)7-13(20)17-11-4-3-9(14)5-10(11)15/h3-5,8H,6-7H2,1-2H3,(H2,16,19)(H,17,20)/p+1