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

Systemtic Name: 1-[(4-phenylmethoxyphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(4-benzyloxyphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(4-phenylmethoxyphenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(4-phenylmethoxyphenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-(4-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=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

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

InChI

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