O8-[2-[dimethoxy-[1-(phenylmethyl)piperazin-1-ium-1-yl]methyl]phenyl] O1-methyl octanedioate

Systemtic Name: O8-[2-[dimethoxy-[1-(phenylmethyl)piperazin-1-ium-1-yl]methyl]phenyl] O1-methyl octanedioate Openeye Name: O8-[2-[(1-benzylpiperazin-1-ium-1-yl)-dimethoxy-methyl]phenyl] O1-methyl octanedioate CAS Name: octanedioic acid O8-[2-[dimethoxy-[1-(phenylmethyl)-1-piperazin-1-iumyl]methyl]phenyl] ester O1-methyl ester IUPAC Name: 8-O-[2-[(1-benzylpiperazin-1-ium-1-yl)-dimethoxymethyl]phenyl] 1-O-methyl octanedioate Traditional Name: suberic acid O8-[2-[(1-benzylpiperazin-1-ium-1-yl)-dimethoxy-methyl]phenyl] ester O1-methyl ester Formula: C29H41N2O6+ MolecularWeight: 513.64564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCC(=O)OC1=CC=CC=C1C([N+]2(CCNCC2)CC3=CC=CC=C3)(OC)OC

Isomeric SMILES

COC(=O)CCCCCCC(=O)OC1=CC=CC=C1C([N+]2(CCNCC2)CC3=CC=CC=C3)(OC)OC

InChI

InChI=1S/C29H41N2O6/c1-34-27(32)17-9-4-5-10-18-28(33)37-26-16-12-11-15-25(26)29(35-2,36-3)31(21-19-30-20-22-31)23-24-13-7-6-8-14-24/h6-8,11-16,30H,4-5,9-10,17-23H2,1-3H3/q+1