3-chloranyl-4-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]aniline

Systemtic Name: 3-chloranyl-4-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]aniline Openeye Name: 3-chloro-4-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]aniline CAS Name: 3-chloro-4-[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 3-chloro-4-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]aniline Traditional Name: [3-chloro-4-[4-(3-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]amine Formula: C17H20ClFN3+ MolecularWeight: 320.812203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C3=C(C=C(C=C3)N)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C3=C(C=C(C=C3)N)Cl

InChI

InChI=1S/C17H19ClFN3/c18-16-11-15(20)4-5-17(16)22-8-6-21(7-9-22)12-13-2-1-3-14(19)10-13/h1-5,10-11H,6-9,12,20H2/p+1