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

Systemtic Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenolate Openeye Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenolate CAS Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-2,6-dimethoxyphenolate IUPAC Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-2,6-dimethoxyphenolate Traditional Name: 2,6-dimethoxy-4-[(4-veratrylpiperazin-1-ium-1-yl)methyl]phenolate Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)[O-])OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)[O-])OC)OC

InChI

InChI=1S/C22H30N2O5/c1-26-18-6-5-16(11-19(18)27-2)14-23-7-9-24(10-8-23)15-17-12-20(28-3)22(25)21(13-17)29-4/h5-6,11-13,25H,7-10,14-15H2,1-4H3