2-phenoxy-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-phenoxy-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-phenoxy-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-phenoxy-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-phenoxy-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-phenoxy-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C18H22N3O2+ MolecularWeight: 312.38618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O2/c22-18(15-23-17-4-2-1-3-5-17)21-12-10-20(11-13-21)14-16-6-8-19-9-7-16/h1-9H,10-15H2/p+1