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

Systemtic Name: 2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline Openeye Name: 2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline CAS Name: 2-[4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline Traditional Name: [2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]amine Formula: C16H24N5+ MolecularWeight: 286.39526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCN(CC2)C3=CC=CC=C3N)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCN(CC2)C3=CC=CC=C3N)C

InChI

InChI=1S/C16H23N5/c1-13-14(11-19(2)18-13)12-20-7-9-21(10-8-20)16-6-4-3-5-15(16)17/h3-6,11H,7-10,12,17H2,1-2H3/p+1