4-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol CAS Name: 4-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-2,6-dimethoxyphenol IUPAC Name: 4-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-2,6-dimethoxyphenol Traditional Name: 4-[[4-(2,5-dimethoxybenzyl)piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol Formula: C22H31N2O5+ MolecularWeight: 403.49194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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