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

Systemtic Name: methyl 5-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C18H23N2O4+ MolecularWeight: 331.38622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-13-17(18(22)23-2)11-16(24-13)12-19-7-9-20(10-8-19)14-3-5-15(21)6-4-14/h3-6,11,21H,7-10,12H2,1-2H3/p+1