(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C24H29N4O2+ MolecularWeight: 405.51266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2/c1-19-23(20(2)28(25-19)21-9-5-3-6-10-21)24(29)27-15-13-26(14-16-27)17-18-30-22-11-7-4-8-12-22/h3-12H,13-18H2,1-2H3/p+1