methyl 3-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethyl]benzoate

Systemtic Name: methyl 3-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethyl]benzoate Openeye Name: methyl 3-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]benzoate CAS Name: 3-[2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]benzoate Traditional Name: 3-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]benzoic acid methyl ester Formula: C21H28N2O2+2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-25-21(24)20-9-5-8-18(16-20)10-11-22-12-14-23(15-13-22)17-19-6-3-2-4-7-19/h2-9,16H,10-15,17H2,1H3/p+2