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

Systemtic Name: 3-chloranyl-4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline Openeye Name: 3-chloro-4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline CAS Name: 3-chloro-4-[4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 3-chloro-4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline Traditional Name: [3-chloro-4-[4-[(1,3-dimethylpyrazol-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:

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

Isomeric SMILES

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

InChI

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