3-fluoranyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)aniline

Systemtic Name: 3-fluoranyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)aniline Openeye Name: 3-fluoro-4-(4-methyl-1,4-diazepan-4-ium-1-yl)aniline CAS Name: 3-fluoro-4-(4-methyl-1,4-diazepan-4-ium-1-yl)aniline IUPAC Name: 3-fluoro-4-(4-methyl-1,4-diazepan-4-ium-1-yl)aniline Traditional Name: [3-fluoro-4-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]amine Formula: C12H19FN3+ MolecularWeight: 224.297763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C(C=C(C=C2)N)F

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C=C(C=C2)N)F

InChI

InChI=1S/C12H18FN3/c1-15-5-2-6-16(8-7-15)12-4-3-10(14)9-11(12)13/h3-4,9H,2,5-8,14H2,1H3/p+1