ethyl 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate Openeye Name: ethyl 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylic acid ethyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3/c1-4-24-20(23)17-8-13-25-19(17)14-21-9-11-22(12-10-21)18-7-5-6-15(2)16(18)3/h5-8,13H,4,9-12,14H2,1-3H3/p+1