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

Systemtic Name: 4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzoate Openeye Name: 4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzoate CAS Name: 4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]benzoate IUPAC Name: 4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzoate Traditional Name: 4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzoate Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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