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

Systemtic Name: 1-[(3-phenoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(3-phenoxyphenyl)methyl]-4-(4-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-[(3-phenoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(3-phenoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(3-phenoxybenzyl)-4-(4-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=NC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=NC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

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