N-(2,3-dimethylphenyl)-2-[4-[(2R)-2-pyrazol-1-ylpropanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(2R)-2-pyrazol-1-ylpropanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[(2R)-2-pyrazol-1-ylpropanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(2R)-1-oxo-2-(1-pyrazolyl)propyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[(2R)-2-pyrazol-1-ylpropanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[(2R)-2-pyrazol-1-ylpropanoyl]piperazin-1-ium-1-yl]acetamide Formula: C20H28N5O2+ MolecularWeight: 370.46862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C(C)N3C=CC=N3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)[C@@H](C)N3C=CC=N3)C

InChI

InChI=1S/C20H27N5O2/c1-15-6-4-7-18(16(15)2)22-19(26)14-23-10-12-24(13-11-23)20(27)17(3)25-9-5-8-21-25/h4-9,17H,10-14H2,1-3H3,(H,22,26)/p+1/t17-/m1/s1