[(2R)-1-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propan-2-yl] furan-2-carboxylate

Systemtic Name: [(2R)-1-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propan-2-yl] furan-2-carboxylate Openeye Name: [(1R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-methyl-ethyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [(2R)-1-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propan-2-yl] ester IUPAC Name: [(2R)-1-(4-benzylpiperazine-1,4-diium-1-yl)propan-2-yl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [(1R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-methyl-ethyl] ester Formula: C19H26N2O3+2 MolecularWeight: 330.42134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CC[NH+](CC1)CC2=CC=CC=C2)OC(=O)C3=CC=CO3

Isomeric SMILES

C[C@H](C[NH+]1CC[NH+](CC1)CC2=CC=CC=C2)OC(=O)C3=CC=CO3

InChI

InChI=1S/C19H24N2O3/c1-16(24-19(22)18-8-5-13-23-18)14-20-9-11-21(12-10-20)15-17-6-3-2-4-7-17/h2-8,13,16H,9-12,14-15H2,1H3/p+2/t16-/m1/s1