methyl 5-[[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[4-[(3-chlorophenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[4-(3-chlorobenzyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C19H25ClN2O3+2 MolecularWeight: 364.8664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)C(=O)OC

InChI

InChI=1S/C19H23ClN2O3/c1-14-18(19(23)24-2)11-17(25-14)13-22-8-6-21(7-9-22)12-15-4-3-5-16(20)10-15/h3-5,10-11H,6-9,12-13H2,1-2H3/p+2