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

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methanone CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methanone Formula: C28H28ClN4O+ MolecularWeight: 472.00112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H27ClN4O/c1-21-25(27(29)33(30-21)24-15-9-4-10-16-24)28(34)32-19-17-31(18-20-32)26(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-16,26H,17-20H2,1H3/p+1