methyl 5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzoate CAS Name: 2-hydroxy-5-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzoate Traditional Name: 2-hydroxy-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzoic acid methyl ester Formula: C14H22N2O3+2 MolecularWeight: 266.33608

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=CC(=C(C=C2)O)C(=O)OC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=CC(=C(C=C2)O)C(=O)OC

InChI

InChI=1S/C14H20N2O3/c1-15-5-7-16(8-6-15)10-11-3-4-13(17)12(9-11)14(18)19-2/h3-4,9,17H,5-8,10H2,1-2H3/p+2