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

Systemtic Name: (2S)-2-chloranyl-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanone Openeye Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-chloro-2-phenyl-ethanone CAS Name: (2S)-2-chloro-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-phenylethanone IUPAC Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-chloro-2-phenylethanone Traditional Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-chloro-2-phenyl-ethanone Formula: C25H26ClN2O+ MolecularWeight: 405.93974

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN2O/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/p+1/t23-/m0/s1