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

Systemtic Name: [(2S)-5-methylhexan-2-yl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [(2S)-5-methylhexan-2-yl]-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(2S)-5-methylhexan-2-yl]-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C17H26N3+ MolecularWeight: 272.40844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3/c1-14(2)9-10-15(3)18-11-16-12-19-20(13-16)17-7-5-4-6-8-17/h4-8,12-15,18H,9-11H2,1-3H3/p+1/t15-/m0/s1