[4-[[N-cyano-N'-[12-[(2-methylpropan-2-yl)oxycarbonylamino]dodecyl]carbamimidoyl]amino]pyridin-1-ium-1-yl]methyl 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate iodide

Systemtic Name: [4-[[N-cyano-N'-[12-[(2-methylpropan-2-yl)oxycarbonylamino]dodecyl]carbamimidoyl]amino]pyridin-1-ium-1-yl]methyl 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate iodide Openeye Name: [4-[[N'-[12-(tert-butoxycarbonylamino)dodecyl]-N-cyano-carbamimidoyl]amino]pyridin-1-ium-1-yl]methyl 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate iodide CAS Name: carbonic acid [4-[[(cyanoamino)-[12-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]dodecylimino]methyl]amino]-1-pyridin-1-iumyl]methyl 2-[2-(2-methoxyethoxy)ethoxy]ethyl ester iodide IUPAC Name: [4-[[N-cyano-N'-[12-[(2-methylpropan-2-yl)oxycarbonylamino]dodecyl]carbamimidoyl]amino]pyridin-1-ium-1-yl]methyl 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate iodide Traditional Name: carbonic acid [4-[[N'-[12-(tert-butoxycarbonylamino)dodecyl]-N-cyano-amidino]amino]pyridin-1-ium-1-yl]methyl 2-[2-(2-methoxyethoxy)ethoxy]ethyl ester iodide Formula: C33H57IN6O8 MolecularWeight: 792.74555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCCCCCCCN=C(NC#N)NC1=CC=[N+](C=C1)COC(=O)OCCOCCOCCOC.[I-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCCCCCCCN=C(NC#N)NC1=CC=[N+](C=C1)COC(=O)OCCOCCOCCOC.[I-]

InChI

InChI=1S/C33H56N6O8.HI/c1-33(2,3)47-31(40)36-18-14-12-10-8-6-5-7-9-11-13-17-35-30(37-27-34)38-29-15-19-39(20-16-29)28-46-32(41)45-26-25-44-24-23-43-22-21-42-4;/h15-16,19-20H,5-14,17-18,21-26,28H2,1-4H3,(H2,35,36,37,40);1H