methyl 5-[[4-(2-methylphenyl)piperazine-1,4-diium-1-yl]methyl]-2-oxidanyl-benzoate dichloride

Systemtic Name: methyl 5-[[4-(2-methylphenyl)piperazine-1,4-diium-1-yl]methyl]-2-oxidanyl-benzoate dichloride Openeye Name: methyl 2-hydroxy-5-[[4-(o-tolyl)piperazine-1,4-diium-1-yl]methyl]benzoate dichloride CAS Name: 2-hydroxy-5-[[4-(2-methylphenyl)-1-piperazine-1,4-diiumyl]methyl]benzoic acid methyl ester dichloride IUPAC Name: methyl 2-hydroxy-5-[[4-(2-methylphenyl)piperazine-1,4-diium-1-yl]methyl]benzoate dichloride Traditional Name: 2-hydroxy-5-[[4-(o-tolyl)piperazine-1,4-diium-1-yl]methyl]benzoic acid methyl ester dichloride Formula: C20H26Cl2N2O3 MolecularWeight: 413.33804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[NH+]2CC[NH+](CC2)CC3=CC(=C(C=C3)O)C(=O)OC.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC=CC=C1[NH+]2CC[NH+](CC2)CC3=CC(=C(C=C3)O)C(=O)OC.[Cl-].[Cl-]

InChI

InChI=1S/C20H24N2O3.2ClH/c1-15-5-3-4-6-18(15)22-11-9-21(10-12-22)14-16-7-8-19(23)17(13-16)20(24)25-2;;/h3-8,13,23H,9-12,14H2,1-2H3;2*1H