5-chloranyl-2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline

Systemtic Name: 5-chloranyl-2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline Openeye Name: 5-chloro-2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline CAS Name: 5-chloro-2-[4-[(1-ethyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 5-chloro-2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline Traditional Name: [5-chloro-2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]amine Formula: C16H23ClN5+ MolecularWeight: 320.84032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN5/c1-2-22-12-13(10-19-22)11-20-5-7-21(8-6-20)16-4-3-14(17)9-15(16)18/h3-4,9-10,12H,2,5-8,11,18H2,1H3/p+1