[(2S)-5-methylhexan-2-yl]-[(1-methylpyrazol-4-yl)methyl]azanium

Systemtic Name: [(2S)-5-methylhexan-2-yl]-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [(2S)-5-methylhexan-2-yl]-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(2S)-5-methylhexan-2-yl]-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C12H24N3+ MolecularWeight: 210.33906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23N3/c1-10(2)5-6-11(3)13-7-12-8-14-15(4)9-12/h8-11,13H,5-7H2,1-4H3/p+1/t11-/m0/s1