2,6-dimethoxy-4-[[4-(2-naphthalen-2-yloxyethanoyl)piperazin-1-ium-1-yl]methyl]phenolate

Systemtic Name: 2,6-dimethoxy-4-[[4-(2-naphthalen-2-yloxyethanoyl)piperazin-1-ium-1-yl]methyl]phenolate Openeye Name: 2,6-dimethoxy-4-[[4-[2-(2-naphthyloxy)acetyl]piperazin-1-ium-1-yl]methyl]phenolate CAS Name: 2,6-dimethoxy-4-[[4-[2-(2-naphthalenyloxy)-1-oxoethyl]-1-piperazin-1-iumyl]methyl]phenolate IUPAC Name: 2,6-dimethoxy-4-[[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-ium-1-yl]methyl]phenolate Traditional Name: 2,6-dimethoxy-4-[[4-[2-(2-naphthoxy)acetyl]piperazin-1-ium-1-yl]methyl]phenolate Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5/c1-30-22-13-18(14-23(31-2)25(22)29)16-26-9-11-27(12-10-26)24(28)17-32-21-8-7-19-5-3-4-6-20(19)15-21/h3-8,13-15,29H,9-12,16-17H2,1-2H3