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

Systemtic Name: 4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol CAS Name: 4-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-2,6-dimethoxyphenol IUPAC Name: 4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-2,6-dimethoxyphenol Traditional Name: 2,6-dimethoxy-4-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]phenol Formula: C21H29N2O4+ MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4/c1-4-27-18-8-6-5-7-17(18)23-11-9-22(10-12-23)15-16-13-19(25-2)21(24)20(14-16)26-3/h5-8,13-14,24H,4,9-12,15H2,1-3H3/p+1