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

Systemtic Name: methyl 5-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C19H25N2O4+ MolecularWeight: 345.4128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4/c1-3-24-17-7-5-4-6-16(17)21-12-10-20(11-13-21)14-15-8-9-18(25-15)19(22)23-2/h4-9H,3,10-14H2,1-2H3/p+1