4-[4-[2-(4-fluorophenyl)ethyl]-1,4-diazepan-4-ium-1-yl]aniline

Systemtic Name: 4-[4-[2-(4-fluorophenyl)ethyl]-1,4-diazepan-4-ium-1-yl]aniline Openeye Name: 4-[4-[2-(4-fluorophenyl)ethyl]-1,4-diazepan-4-ium-1-yl]aniline CAS Name: 4-[4-[2-(4-fluorophenyl)ethyl]-1,4-diazepan-4-ium-1-yl]aniline IUPAC Name: 4-[4-[2-(4-fluorophenyl)ethyl]-1,4-diazepan-4-ium-1-yl]aniline Traditional Name: [4-[4-[2-(4-fluorophenyl)ethyl]-1,4-diazepan-4-ium-1-yl]phenyl]amine Formula: C19H25FN3+ MolecularWeight: 314.420303

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=CC=C(C=C2)N)CCC3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH+](CCN(C1)C2=CC=C(C=C2)N)CCC3=CC=C(C=C3)F

InChI

InChI=1S/C19H24FN3/c20-17-4-2-16(3-5-17)10-13-22-11-1-12-23(15-14-22)19-8-6-18(21)7-9-19/h2-9H,1,10-15,21H2/p+1