methyl-[2-[[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]-bis(phenylmethyl)azanium diiodide

Systemtic Name: methyl-[2-[[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]-bis(phenylmethyl)azanium diiodide Openeye Name: dibenzyl-methyl-[2-[[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]-2-oxo-ethyl]amino]-2-oxo-ethyl]ammonium diiodide CAS Name: methyl-[2-[[2-[2-(1-methyl-1-piperidin-1-iumyl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]-bis(phenylmethyl)ammonium diiodide IUPAC Name: dibenzyl-methyl-[2-[[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]azanium diiodide Traditional Name: dibenzyl-[2-keto-2-[[2-keto-2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]ethyl]amino]ethyl]-methyl-ammonium diiodide Formula: C27H40I2N4O2 MolecularWeight: 706.44104

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCNC(=O)CNC(=O)C[N+](C)(CC2=CC=CC=C2)CC3=CC=CC=C3.[I-].[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCNC(=O)CNC(=O)C[N+](C)(CC2=CC=CC=C2)CC3=CC=CC=C3.[I-].[I-]

InChI

InChI=1S/C27H38N4O2.2HI/c1-30(17-10-5-11-18-30)19-16-28-26(32)20-29-27(33)23-31(2,21-24-12-6-3-7-13-24)22-25-14-8-4-9-15-25;;/h3-4,6-9,12-15H,5,10-11,16-23H2,1-2H3;2*1H