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

Systemtic Name: [(2S)-6-methylheptan-2-yl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [(1S)-1,5-dimethylhexyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [(2S)-6-methylheptan-2-yl]-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(2S)-6-methylheptan-2-yl]-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [(1S)-1,5-dimethylhexyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C18H28N3+ MolecularWeight: 286.43502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3/c1-15(2)8-7-9-16(3)19-12-17-13-20-21(14-17)18-10-5-4-6-11-18/h4-6,10-11,13-16,19H,7-9,12H2,1-3H3/p+1/t16-/m0/s1