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

Systemtic Name: methyl 5-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C18H22ClN2O3+ MolecularWeight: 349.83188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C18H21ClN2O3/c1-13-3-4-14(19)11-16(13)21-9-7-20(8-10-21)12-15-5-6-17(24-15)18(22)23-2/h3-6,11H,7-10,12H2,1-2H3/p+1