(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylammonium IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-[2-(2-ethylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C22H26ClN4O+ MolecularWeight: 397.92104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+](C)CC2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+](C)CC2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H25ClN4O/c1-4-17-10-8-9-13-20(17)24-21(28)15-26(3)14-19-16(2)25-27(22(19)23)18-11-6-5-7-12-18/h5-13H,4,14-15H2,1-3H3,(H,24,28)/p+1