1-[(3-phenoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(3-phenoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(3-phenoxyphenyl)methyl]-4-(2-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-[(3-phenoxyphenyl)methyl]-4-(2-pyridinylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(3-phenoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(3-phenoxybenzyl)-4-(2-pyridylmethyl)piperazine-1,4-diium Formula: C23H27N3O+2 MolecularWeight: 361.47998

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)CC4=CC=CC=N4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)CC4=CC=CC=N4

InChI

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