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

Systemtic Name: methyl 5-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-furan-2-carboxylate Openeye Name: methyl 5-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-furan-2-carboxylate CAS Name: 5-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-3-methyl-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-methylfuran-2-carboxylate Traditional Name: 5-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-furan-2-carboxylic acid methyl ester Formula: C18H22ClN2O3+ MolecularWeight: 349.83188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)OC

InChI

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