1-[(3-phenoxyphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(3-phenoxyphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(3-phenoxyphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(3-phenoxyphenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(3-phenoxyphenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-(3-phenoxybenzyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C22H25N3O+2 MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H23N3O/c1-2-8-20(9-3-1)26-21-10-6-7-19(17-21)18-24-13-15-25(16-14-24)22-11-4-5-12-23-22/h1-12,17H,13-16,18H2/p+2