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

Systemtic Name: 1-[(3-phenoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium Openeye Name: 1-[(3-phenoxyphenyl)methyl]-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 1-[(3-phenoxyphenyl)methyl]-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-[(3-phenoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(3-phenoxybenzyl)-4-(3-pyridylmethyl)piperazin-4-ium Formula: C23H26N3O+ MolecularWeight: 360.47204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

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