2,6-dimethoxy-4-[[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2,6-dimethoxy-4-[[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2,6-dimethoxy-4-[[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2,6-dimethoxy-4-[[4-[(3,4,5-trimethoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2,6-dimethoxy-4-[[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2,6-dimethoxy-4-[[4-(3,4,5-trimethoxybenzyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C23H33N2O6+ MolecularWeight: 433.51792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C23H32N2O6/c1-27-18-10-16(11-19(28-2)22(18)26)14-24-6-8-25(9-7-24)15-17-12-20(29-3)23(31-5)21(13-17)30-4/h10-13,26H,6-9,14-15H2,1-5H3/p+1