methyl 5-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=C(O3)C)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=C(O3)C)C(=O)OC)C

InChI

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