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

Systemtic Name: [(2S)-butan-2-yl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [(1S)-1-methylpropyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [(1S)-1-methylpropyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C14H20N3+ MolecularWeight: 230.3287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3/c1-3-12(2)15-9-13-10-16-17(11-13)14-7-5-4-6-8-14/h4-8,10-12,15H,3,9H2,1-2H3/p+1/t12-/m0/s1