6-[[5-ethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]carbonylamino]hexylazanium

Systemtic Name: 6-[[5-ethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]carbonylamino]hexylazanium Openeye Name: 6-[[5-ethyl-1-[4-(p-tolyl)thiazol-2-yl]pyrazole-4-carbonyl]amino]hexylammonium CAS Name: 6-[[[5-ethyl-1-[4-(4-methylphenyl)-2-thiazolyl]-4-pyrazolyl]-oxomethyl]amino]hexylammonium IUPAC Name: 6-[[5-ethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonyl]amino]hexylazanium Traditional Name: 6-[[5-ethyl-1-[4-(p-tolyl)thiazol-2-yl]pyrazole-4-carbonyl]amino]hexylammonium Formula: C22H30N5OS+ MolecularWeight: 412.5715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=NC(=CS2)C3=CC=C(C=C3)C)C(=O)NCCCCCC[NH3+]

Isomeric SMILES

CCC1=C(C=NN1C2=NC(=CS2)C3=CC=C(C=C3)C)C(=O)NCCCCCC[NH3+]

InChI

InChI=1S/C22H29N5OS/c1-3-20-18(21(28)24-13-7-5-4-6-12-23)14-25-27(20)22-26-19(15-29-22)17-10-8-16(2)9-11-17/h8-11,14-15H,3-7,12-13,23H2,1-2H3,(H,24,28)/p+1