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

Systemtic Name: 1-[2-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methylamino]ethyl]piperidin-1-ium-4-ol Openeye Name: 1-[2-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methylamino]ethyl]piperidin-1-ium-4-ol CAS Name: 1-[2-[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methylamino]ethyl]-4-piperidin-1-iumol IUPAC Name: 1-[2-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methylamino]ethyl]piperidin-1-ium-4-ol Traditional Name: 1-[2-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methylamino]ethyl]piperidin-1-ium-4-ol Formula: C25H33N4O+ MolecularWeight: 405.55572

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)CNCC[NH+]4CCC(CC4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)CNCC[NH+]4CCC(CC4)O

InChI

InChI=1S/C25H32N4O/c1-19-8-9-20(2)24(16-19)29-18-22(25(27-29)21-6-4-3-5-7-21)17-26-12-15-28-13-10-23(30)11-14-28/h3-9,16,18,23,26,30H,10-15,17H2,1-2H3/p+1