2-chloranyl-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanone chloride

Systemtic Name: 2-chloranyl-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanone chloride Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-chloro-2-phenyl-ethanone chloride CAS Name: 2-chloro-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-phenylethanone chloride IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-chloro-2-phenylethanone chloride Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-chloro-2-phenyl-ethanone chloride Formula: C25H26Cl2N2O MolecularWeight: 441.39274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(C4=CC=CC=C4)Cl.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(C4=CC=CC=C4)Cl.[Cl-]

InChI

InChI=1S/C25H25ClN2O.ClH/c26-23(20-10-4-1-5-11-20)25(29)28-18-16-27(17-19-28)24(21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-15,23-24H,16-19H2;1H