4-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline

Systemtic Name: 4-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline Openeye Name: 4-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline CAS Name: 4-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline IUPAC Name: 4-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline Traditional Name: [4-[4-(3-fluorobenzyl)-1,4-diazepan-4-ium-1-yl]phenyl]amine Formula: C18H23FN3+ MolecularWeight: 300.393723

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=CC=C(C=C2)N)CC3=CC(=CC=C3)F

Isomeric SMILES

C1C[NH+](CCN(C1)C2=CC=C(C=C2)N)CC3=CC(=CC=C3)F

InChI

InChI=1S/C18H22FN3/c19-16-4-1-3-15(13-16)14-21-9-2-10-22(12-11-21)18-7-5-17(20)6-8-18/h1,3-8,13H,2,9-12,14,20H2/p+1