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

Systemtic Name: methyl 5-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-methylfuran-3-carboxylate Traditional Name: 2-methyl-5-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]furan-3-carboxylic acid methyl ester Formula: C20H27N2O4+ MolecularWeight: 359.43938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(O3)C)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(O3)C)C(=O)OC

InChI

InChI=1S/C20H26N2O4/c1-4-25-19-8-6-5-7-18(19)22-11-9-21(10-12-22)14-16-13-17(15(2)26-16)20(23)24-3/h5-8,13H,4,9-12,14H2,1-3H3/p+1