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

Systemtic Name: 4-(2,5-dimethoxyphenyl)-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-(2,5-dimethoxyphenyl)-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4-(2,5-dimethoxyphenyl)-2-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-(2,5-dimethoxyphenyl)-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4-(2,5-dimethoxyphenyl)-2-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]phenol Formula: C27H33N2O4+ MolecularWeight: 449.56192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=CC(=C3)C4=C(C=CC(=C4)OC)OC)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=CC(=C3)C4=C(C=CC(=C4)OC)OC)O

InChI

InChI=1S/C27H32N2O4/c1-4-33-27-8-6-5-7-24(27)29-15-13-28(14-16-29)19-21-17-20(9-11-25(21)30)23-18-22(31-2)10-12-26(23)32-3/h5-12,17-18,30H,4,13-16,19H2,1-3H3/p+1