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

Systemtic Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-furan-2-carboxylate Openeye Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-furan-2-carboxylate CAS Name: 4-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-5-methyl-2-furancarboxylate IUPAC Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-methylfuran-2-carboxylate Traditional Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-furoate Formula: C19H24N2O3 MolecularWeight: 328.40546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=C(OC(=C3)C(=O)[O-])C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=C(OC(=C3)C(=O)[O-])C)C

InChI

InChI=1S/C19H24N2O3/c1-13-5-4-6-17(14(13)2)21-9-7-20(8-10-21)12-16-11-18(19(22)23)24-15(16)3/h4-6,11H,7-10,12H2,1-3H3,(H,22,23)