2-phenoxy-1-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-phenoxy-1-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-phenoxy-1-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-phenoxy-1-[4-(3-pyridin-1-iumylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-phenoxy-1-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-phenoxy-1-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C18H23N3O2+2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C[NH+]=CC=C2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C[NH+]=CC=C2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O2/c22-18(15-23-17-6-2-1-3-7-17)21-11-9-20(10-12-21)14-16-5-4-8-19-13-16/h1-8,13H,9-12,14-15H2/p+2