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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

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