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

Systemtic Name: 1-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-[(3-phenoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-phenylethanone IUPAC Name: 1-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-phenylethanone Traditional Name: 1-[4-(3-phenoxybenzyl)piperazin-4-ium-1-yl]-2-phenyl-ethanone Formula: C25H27N2O2+ MolecularWeight: 387.49408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O2/c28-25(19-21-8-3-1-4-9-21)27-16-14-26(15-17-27)20-22-10-7-13-24(18-22)29-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2/p+1