[(2S)-2-ethylhexyl]-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C18H28N3+ MolecularWeight: 286.43502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]CC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CCCC[C@H](CC)C[NH2+]CC1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H27N3/c1-3-5-9-16(4-2)12-19-13-17-14-20-21(15-17)18-10-7-6-8-11-18/h6-8,10-11,14-16,19H,3-5,9,12-13H2,1-2H3/p+1/t16-/m0/s1