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

Systemtic Name: 1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(3-phenylmethoxyphenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-(3-benzoxybenzyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C23H27N3O+2 MolecularWeight: 361.47998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=[NH+]4

InChI

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