1-[4-(chloromethyl)-2-fluoranyl-phenyl]-4-methyl-1,4-diazepan-4-ium

Systemtic Name: 1-[4-(chloromethyl)-2-fluoranyl-phenyl]-4-methyl-1,4-diazepan-4-ium Openeye Name: 1-[4-(chloromethyl)-2-fluoro-phenyl]-4-methyl-1,4-diazepan-4-ium CAS Name: 1-[4-(chloromethyl)-2-fluorophenyl]-4-methyl-1,4-diazepan-4-ium IUPAC Name: 1-[4-(chloromethyl)-2-fluorophenyl]-4-methyl-1,4-diazepan-4-ium Traditional Name: 1-[4-(chloromethyl)-2-fluoro-phenyl]-4-methyl-1,4-diazepan-4-ium Formula: C13H19ClFN2+ MolecularWeight: 257.754763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClFN2/c1-16-5-2-6-17(8-7-16)13-4-3-11(10-14)9-12(13)15/h3-4,9H,2,5-8,10H2,1H3/p+1