[(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl] 2-iodanylbenzoate

Systemtic Name: [(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl] 2-iodanylbenzoate Openeye Name: [(1R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [(2R)-1-(4-methyl-1-piperazine-1,4-diiumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [(1R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl] ester Formula: C15H23IN2O2+2 MolecularWeight: 390.25979

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CC[NH+](CC1)C)OC(=O)C2=CC=CC=C2I

Isomeric SMILES

C[C@H](C[NH+]1CC[NH+](CC1)C)OC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C15H21IN2O2/c1-12(11-18-9-7-17(2)8-10-18)20-15(19)13-5-3-4-6-14(13)16/h3-6,12H,7-11H2,1-2H3/p+2/t12-/m1/s1