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

Systemtic Name: [(2S)-2-ethylhexyl]-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C13H26N3+ MolecularWeight: 224.36564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25N3/c1-4-6-7-12(5-2)8-14-9-13-10-15-16(3)11-13/h10-12,14H,4-9H2,1-3H3/p+1/t12-/m0/s1