4-[[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenolate

Systemtic Name: 4-[[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenolate Openeye Name: 4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenolate CAS Name: 4-[[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-2,6-dimethoxyphenolate IUPAC Name: 4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]methyl]-2,6-dimethoxyphenolate Traditional Name: 2,6-dimethoxy-4-[(4-veratroylpiperazin-1-ium-1-yl)methyl]phenolate Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)[O-])OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)[O-])OC)OC

InChI

InChI=1S/C22H28N2O6/c1-27-17-6-5-16(13-18(17)28-2)22(26)24-9-7-23(8-10-24)14-15-11-19(29-3)21(25)20(12-15)30-4/h5-6,11-13,25H,7-10,14H2,1-4H3