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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3)OC

InChI

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