1-[(3-phenoxyphenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(3-phenoxyphenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(3-phenoxyphenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium CAS Name: 1-[(3-phenoxyphenyl)methyl]-4-(3-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(3-phenoxyphenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(3-phenoxybenzyl)-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Formula: C23H28N3O+3 MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)CC4=C[NH+]=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)CC4=C[NH+]=CC=C4

InChI

InChI=1S/C23H25N3O/c1-2-8-22(9-3-1)27-23-10-4-6-20(16-23)18-25-12-14-26(15-13-25)19-21-7-5-11-24-17-21/h1-11,16-17H,12-15,18-19H2/p+3