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

Systemtic Name: 4-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline Openeye Name: 4-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline CAS Name: 4-[4-[(1-ethyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 4-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline Traditional Name: [4-[4-[(1-ethylpyrazol-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:

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

Isomeric SMILES

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

InChI

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