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

Systemtic Name: 5-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: 5-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-2-furoate Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3/c1-13-3-2-4-14(11-13)19-9-7-18(8-10-19)12-15-5-6-16(22-15)17(20)21/h2-6,11H,7-10,12H2,1H3,(H,20,21)