(4-tert-butylphenyl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-tert-butylphenyl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-tert-butylphenyl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-tert-butylphenyl)methyl-[2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: (4-tert-butylphenyl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: (4-tert-butylbenzyl)-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C22H33N4O+ MolecularWeight: 369.52362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=CC=NN2C3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=CC=NN2C3CCCC3

InChI

InChI=1S/C22H32N4O/c1-22(2,3)18-11-9-17(10-12-18)15-25(4)16-21(27)24-20-13-14-23-26(20)19-7-5-6-8-19/h9-14,19H,5-8,15-16H2,1-4H3,(H,24,27)/p+1