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

Systemtic Name: 4-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline Openeye Name: 4-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline CAS Name: 4-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline IUPAC Name: 4-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline Traditional Name: [4-[4-(2-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=C3F

Isomeric SMILES

C1C[NH+](CCN(C1)C2=CC=C(C=C2)N)CC3=CC=CC=C3F

InChI

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