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

Systemtic Name: methyl 4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]benzoate Openeye Name: methyl 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]benzoate CAS Name: 4-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]benzoate Traditional Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]benzoic acid methyl ester Formula: C20H26N2O2+2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2/c1-24-20(23)19-9-7-18(8-10-19)16-22-13-11-21(12-14-22)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3/p+2