methyl 4-(piperazine-1,4-diium-1-ylmethyl)benzoate

Systemtic Name: methyl 4-(piperazine-1,4-diium-1-ylmethyl)benzoate Openeye Name: methyl 4-(piperazine-1,4-diium-1-ylmethyl)benzoate CAS Name: 4-(1-piperazine-1,4-diiumylmethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(piperazine-1,4-diium-1-ylmethyl)benzoate Traditional Name: 4-(piperazine-1,4-diium-1-ylmethyl)benzoic acid methyl ester Formula: C13H20N2O2+2 MolecularWeight: 236.3101

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CC[NH2+]CC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CC[NH2+]CC2

InChI

InChI=1S/C13H18N2O2/c1-17-13(16)12-4-2-11(3-5-12)10-15-8-6-14-7-9-15/h2-5,14H,6-10H2,1H3/p+2