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

Systemtic Name: 1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxy-ethanone Openeye Name: 1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(2-naphthyloxy)ethanone CAS Name: 1-[4-[(2,3-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(2-naphthalenyloxy)ethanone IUPAC Name: 1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone Traditional Name: 2-(2-naphthoxy)-1-(4-o-veratrylpiperazin-4-ium-1-yl)ethanone Formula: C25H29N2O4+ MolecularWeight: 421.50876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H28N2O4/c1-29-23-9-5-8-21(25(23)30-2)17-26-12-14-27(15-13-26)24(28)18-31-22-11-10-19-6-3-4-7-20(19)16-22/h3-11,16H,12-15,17-18H2,1-2H3/p+1