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

Systemtic Name: 1-[3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethoxy-phenyl]ethanone Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2/c1-5-27-23-10-9-20(19(4)26)15-21(23)16-24-11-13-25(14-12-24)22-8-6-7-17(2)18(22)3/h6-10,15H,5,11-14,16H2,1-4H3/p+1