(3S)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-ol

Systemtic Name: (3S)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-ol Formula: C23H28N3O+ MolecularWeight: 362.48792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+]4CCCC(C4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+]4CCC[C@@H](C4)O

InChI

InChI=1S/C23H27N3O/c1-17-10-11-18(2)22(13-17)26-15-20(14-25-12-6-9-21(27)16-25)23(24-26)19-7-4-3-5-8-19/h3-5,7-8,10-11,13,15,21,27H,6,9,12,14,16H2,1-2H3/p+1/t21-/m0/s1