3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]propyl]-methyl-ammonium Formula: C21H24ClN4O+ MolecularWeight: 383.89446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=C(NN=C1)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)C1=C(NN=C1)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H23ClN4O/c1-26(15-16-6-3-2-4-7-16)13-5-12-23-21(27)19-14-24-25-20(19)17-8-10-18(22)11-9-17/h2-4,6-11,14H,5,12-13,15H2,1H3,(H,23,27)(H,24,25)/p+1