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

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C23H26ClN4O2+ MolecularWeight: 425.93114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H25ClN4O2/c1-18-21(22(24)28(25-18)19-8-4-2-5-9-19)23(29)27-14-12-26(13-15-27)16-17-30-20-10-6-3-7-11-20/h2-11H,12-17H2,1H3/p+1