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

Systemtic Name: methyl 5-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-furan-2-carboxylate Openeye Name: methyl 5-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-furan-2-carboxylate CAS Name: 5-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-3-methyl-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-3-methylfuran-2-carboxylate Traditional Name: 5-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-furan-2-carboxylic acid methyl ester Formula: C20H25N2O4+ MolecularWeight: 357.4235

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C(=O)OC

InChI

InChI=1S/C20H24N2O4/c1-14-12-18(26-19(14)20(24)25-3)13-21-8-10-22(11-9-21)17-6-4-16(5-7-17)15(2)23/h4-7,12H,8-11,13H2,1-3H3/p+1