4-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-fluoranyl-aniline

Systemtic Name: 4-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-fluoranyl-aniline Openeye Name: 4-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-fluoro-aniline CAS Name: 4-[4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]-3-fluoroaniline IUPAC Name: 4-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-fluoroaniline Traditional Name: [4-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-fluoro-phenyl]amine Formula: C17H25FN5+ MolecularWeight: 318.412303

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)N)F)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)N)F)C

InChI

InChI=1S/C17H24FN5/c1-3-23-13(2)14(11-20-23)12-21-6-8-22(9-7-21)17-5-4-15(19)10-16(17)18/h4-5,10-11H,3,6-9,12,19H2,1-2H3/p+1