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

Systemtic Name: 2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-phenoxy-1-[4-(3-phenoxybenzyl)piperazin-4-ium-1-yl]ethanone Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3/c28-25(20-29-22-9-3-1-4-10-22)27-16-14-26(15-17-27)19-21-8-7-13-24(18-21)30-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2/p+1