N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C24H32N5O+ MolecularWeight: 406.54378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH+]2CCCC2C3=CC=CN3C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH+]2CCC[C@@H]2C3=CC=CN3C)C4=CC=CC=C4

InChI

InChI=1S/C24H31N5O/c1-24(2,3)21-16-22(29(26-21)18-10-6-5-7-11-18)25-23(30)17-28-15-9-13-20(28)19-12-8-14-27(19)4/h5-8,10-12,14,16,20H,9,13,15,17H2,1-4H3,(H,25,30)/p+1/t20-/m1/s1