4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-ethoxy-phenol

Systemtic Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-ethoxy-phenol Openeye Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-ethoxy-phenol CAS Name: 4-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-2-ethoxyphenol IUPAC Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-ethoxyphenol Traditional Name: 4-[[4-(2,3-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=CC=CC(=C3C)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C)O

InChI

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