(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-2-carboxamide CAS Name: (2R)-N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-[3-(1-pyrazolyl)propyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-2-carboxamide Formula: C23H31N6O+ MolecularWeight: 407.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CCCC[NH+]3CCCN4C=CC=N4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)[C@H]3CCCC[NH+]3CCCN4C=CC=N4)C

InChI

InChI=1S/C23H30N6O/c1-18-17-19(2)29(26-18)21-10-8-20(9-11-21)25-23(30)22-7-3-4-13-27(22)14-6-16-28-15-5-12-24-28/h5,8-12,15,17,22H,3-4,6-7,13-14,16H2,1-2H3,(H,25,30)/p+1/t22-/m1/s1