2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-fluoranyl-aniline

Systemtic Name: 2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-fluoranyl-aniline Openeye Name: 2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-fluoro-aniline CAS Name: 2-[4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]-5-fluoroaniline IUPAC Name: 2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-fluoroaniline Traditional Name: [2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-fluoro-phenyl]amine Formula: C16H23FN5+ MolecularWeight: 304.385723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCN(CC2)C3=C(C=C(C=C3)F)N)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCN(CC2)C3=C(C=C(C=C3)F)N)C

InChI

InChI=1S/C16H22FN5/c1-12-13(10-20(2)19-12)11-21-5-7-22(8-6-21)16-4-3-14(17)9-15(16)18/h3-4,9-10H,5-8,11,18H2,1-2H3/p+1