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

Systemtic Name: ethyl 2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate Openeye Name: ethyl 2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylic acid ethyl ester Formula: C19H24ClN2O3+ MolecularWeight: 363.85846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O3/c1-3-24-19(23)16-6-11-25-18(16)13-21-7-9-22(10-8-21)17-12-15(20)5-4-14(17)2/h4-6,11-12H,3,7-10,13H2,1-2H3/p+1