2-[[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[1-[(2-chlorophenyl)methyl]-3-phenylpyrazole-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[1-(2-chlorobenzyl)-3-phenyl-pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C21H24ClN4O+ MolecularWeight: 383.89446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H23ClN4O/c1-25(2)13-12-23-21(27)18-15-26(14-17-10-6-7-11-19(17)22)24-20(18)16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,23,27)/p+1