[(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: [(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C18H26N3+ MolecularWeight: 284.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)[NH2+]CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)[NH2+]CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H25N3/c1-14-7-6-10-18(15(14)2)19-11-16-12-20-21(13-16)17-8-4-3-5-9-17/h3-5,8-9,12-15,18-19H,6-7,10-11H2,1-2H3/p+1/t14-,15+,18-/m0/s1