[(2S)-6-methylheptan-2-yl]-[(1-methylpyrazol-4-yl)methyl]azanium

Systemtic Name: [(2S)-6-methylheptan-2-yl]-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: [(1S)-1,5-dimethylhexyl]-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [(2S)-6-methylheptan-2-yl]-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(2S)-6-methylheptan-2-yl]-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: [(1S)-1,5-dimethylhexyl]-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C13H26N3+ MolecularWeight: 224.36564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25N3/c1-11(2)6-5-7-12(3)14-8-13-9-15-16(4)10-13/h9-12,14H,5-8H2,1-4H3/p+1/t12-/m0/s1