4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-ethoxy-phenol

Systemtic Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-ethoxy-phenol Openeye Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-ethoxy-phenol CAS Name: 4-[[4-(2,5-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-2-ethoxyphenol IUPAC Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-ethoxyphenol Traditional Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-ethoxy-phenol Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=C(C=CC(=C3)C)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=C(C=CC(=C3)C)C)O

InChI

InChI=1S/C21H28N2O2/c1-4-25-21-14-18(7-8-20(21)24)15-22-9-11-23(12-10-22)19-13-16(2)5-6-17(19)3/h5-8,13-14,24H,4,9-12,15H2,1-3H3/p+1