1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2,2-diphenylethanone IUPAC Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Formula: C25H26ClN2O+ MolecularWeight: 405.93974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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