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

Systemtic Name: [(2S)-pentan-2-yl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [(1S)-1-methylbutyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [(2S)-pentan-2-yl]-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(2S)-pentan-2-yl]-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [(1S)-1-methylbutyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C15H22N3+ MolecularWeight: 244.35528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3/c1-3-7-13(2)16-10-14-11-17-18(12-14)15-8-5-4-6-9-15/h4-6,8-9,11-13,16H,3,7,10H2,1-2H3/p+1/t13-/m0/s1