2-(3,5-dimethylpyrazol-1-yl)ethyl-[1-[3-(2-oxidanylideneimidazolidin-1-yl)phenyl]piperidin-4-yl]azanium

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[1-[3-(2-oxidanylideneimidazolidin-1-yl)phenyl]piperidin-4-yl]azanium Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[1-[3-(2-oxoimidazolidin-1-yl)phenyl]-4-piperidyl]ammonium CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)ethyl-[1-[3-(2-oxo-1-imidazolidinyl)phenyl]-4-piperidinyl]ammonium IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[1-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidin-4-yl]azanium Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[1-[3-(2-ketoimidazolidin-1-yl)phenyl]-4-piperidyl]ammonium Formula: C21H31N6O+ MolecularWeight: 383.51044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC[NH2+]C2CCN(CC2)C3=CC=CC(=C3)N4CCNC4=O)C

Isomeric SMILES

CC1=CC(=NN1CC[NH2+]C2CCN(CC2)C3=CC=CC(=C3)N4CCNC4=O)C

InChI

InChI=1S/C21H30N6O/c1-16-14-17(2)27(24-16)13-9-22-18-6-10-25(11-7-18)19-4-3-5-20(15-19)26-12-8-23-21(26)28/h3-5,14-15,18,22H,6-13H2,1-2H3,(H,23,28)/p+1