5-fluoranyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]aniline

Systemtic Name: 5-fluoranyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]aniline Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-fluoro-aniline CAS Name: 5-fluoro-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]aniline IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-fluoroaniline Traditional Name: [2-(4-benzylpiperazin-4-ium-1-yl)-5-fluoro-phenyl]amine Formula: C17H21FN3+ MolecularWeight: 286.367143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20FN3/c18-15-6-7-17(16(19)12-15)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13,19H2/p+1