2-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline

Systemtic Name: 2-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline Openeye Name: 2-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline CAS Name: 2-[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]aniline Traditional Name: [2-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]amine Formula: C17H26N5+ MolecularWeight: 300.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCN(CC2)C3=CC=CC=C3N

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCN(CC2)C3=CC=CC=C3N

InChI

InChI=1S/C17H25N5/c1-3-22-13-15(14(2)19-22)12-20-8-10-21(11-9-20)17-7-5-4-6-16(17)18/h4-7,13H,3,8-12,18H2,1-2H3/p+1