4-[[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol CAS Name: 4-[[4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-2,6-dimethoxyphenol IUPAC Name: 4-[[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-2,6-dimethoxyphenol Traditional Name: 4-[[4-(3-ethoxy-4-methoxy-benzyl)piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol Formula: C23H33N2O5+ MolecularWeight: 417.51852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC)OC

InChI

InChI=1S/C23H32N2O5/c1-5-30-20-12-17(6-7-19(20)27-2)15-24-8-10-25(11-9-24)16-18-13-21(28-3)23(26)22(14-18)29-4/h6-7,12-14,26H,5,8-11,15-16H2,1-4H3/p+1