(2S)-4-methyl-2-phenyl-1-[3-(1H-pyrazol-4-yl)propyl]piperazine-1,4-diium

Systemtic Name: (2S)-4-methyl-2-phenyl-1-[3-(1H-pyrazol-4-yl)propyl]piperazine-1,4-diium Openeye Name: (2S)-4-methyl-2-phenyl-1-[3-(1H-pyrazol-4-yl)propyl]piperazine-1,4-diium CAS Name: (2S)-4-methyl-2-phenyl-1-[3-(1H-pyrazol-4-yl)propyl]piperazine-1,4-diium IUPAC Name: (2S)-4-methyl-2-phenyl-1-[3-(1H-pyrazol-4-yl)propyl]piperazine-1,4-diium Traditional Name: (2S)-4-methyl-2-phenyl-1-[3-(1H-pyrazol-4-yl)propyl]piperazine-1,4-diium Formula: C17H26N4+2 MolecularWeight: 286.41514

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](C(C1)C2=CC=CC=C2)CCCC3=CNN=C3

Isomeric SMILES

C[NH+]1CC[NH+]([C@H](C1)C2=CC=CC=C2)CCCC3=CNN=C3

InChI

InChI=1S/C17H24N4/c1-20-10-11-21(9-5-6-15-12-18-19-13-15)17(14-20)16-7-3-2-4-8-16/h2-4,7-8,12-13,17H,5-6,9-11,14H2,1H3,(H,18,19)/p+2/t17-/m1/s1