1-(4-phenylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(4-phenylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(4-phenylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(4-phenylphenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-phenylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(4-phenylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Formula: C23H25N3O+2 MolecularWeight: 359.4641

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H23N3O/c27-22(21-11-9-20(10-12-21)19-6-2-1-3-7-19)18-25-14-16-26(17-15-25)23-8-4-5-13-24-23/h1-13H,14-18H2/p+2