1-[4-oxidanidyl-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-oxidanidyl-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-oxido-4-(3-pyridylmethyl)piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-oxido-4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]-2,2-diphenylethanone IUPAC Name: 1-[4-oxido-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-oxido-4-(3-pyridylmethyl)piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Formula: C24H25N3O2 MolecularWeight: 387.4742

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)(CC4=CN=CC=C4)[O-]

Isomeric SMILES

C1C[N+](CCN1C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)(CC4=CN=CC=C4)[O-]

InChI

InChI=1S/C24H25N3O2/c28-24(23(21-9-3-1-4-10-21)22-11-5-2-6-12-22)26-14-16-27(29,17-15-26)19-20-8-7-13-25-18-20/h1-13,18,23H,14-17,19H2