(3-azaniumylidene-3-azanyl-propyl)-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-methyl-azanium

Systemtic Name: (3-azaniumylidene-3-azanyl-propyl)-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-methyl-azanium Openeye Name: (3-amino-3-azaniumylidene-propyl)-[(5-bromo-2-fluoro-phenyl)methyl]-methyl-ammonium CAS Name: (3-amino-3-iminiopropyl)-[(5-bromo-2-fluorophenyl)methyl]-methylammonium IUPAC Name: (3-amino-3-azaniumylidenepropyl)-[(5-bromo-2-fluorophenyl)methyl]-methylazanium Traditional Name: (3-amino-3-iminio-propyl)-(5-bromo-2-fluoro-benzyl)-methyl-ammonium Formula: C11H17BrFN3+2 MolecularWeight: 290.175183

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=[NH2+])N)CC1=C(C=CC(=C1)Br)F

Isomeric SMILES

C[NH+](CCC(=[NH2+])N)CC1=C(C=CC(=C1)Br)F

InChI

InChI=1S/C11H15BrFN3/c1-16(5-4-11(14)15)7-8-6-9(12)2-3-10(8)13/h2-3,6H,4-5,7H2,1H3,(H3,14,15)/p+2