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

Systemtic Name: methyl 2-methyl-5-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 5-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[(4-benzoyl-1-piperazin-1-iumyl)methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C19H23N2O4+ MolecularWeight: 343.39692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C19H22N2O4/c1-14-17(19(23)24-2)12-16(25-14)13-20-8-10-21(11-9-20)18(22)15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3/p+1