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

Systemtic Name: 2-naphthalen-2-yloxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(2-naphthyloxy)-1-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(2-naphthalenyloxy)-1-[4-[(3-phenoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-naphthalen-2-yloxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(2-naphthoxy)-1-[4-(3-phenoxybenzyl)piperazin-4-ium-1-yl]ethanone Formula: C29H29N2O3+ MolecularWeight: 453.55216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)COC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)COC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H28N2O3/c32-29(22-33-27-14-13-24-8-4-5-9-25(24)20-27)31-17-15-30(16-18-31)21-23-7-6-12-28(19-23)34-26-10-2-1-3-11-26/h1-14,19-20H,15-18,21-22H2/p+1