(3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-ethyl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-ethyl-piperazin-4-ium-2-one Openeye Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-ethyl-piperazin-4-ium-2-one CAS Name: (3R)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-ethyl-2-piperazin-4-iumone IUPAC Name: (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylpiperazin-4-ium-2-one Traditional Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-ethyl-piperazin-4-ium-2-one Formula: C17H23N4O+ MolecularWeight: 299.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCNC(=O)C1C2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC[NH+]1CCNC(=O)[C@H]1C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C17H22N4O/c1-4-20-11-10-18-17(22)16(20)15-12(2)19-21(13(15)3)14-8-6-5-7-9-14/h5-9,16H,4,10-11H2,1-3H3,(H,18,22)/p+1/t16-/m1/s1