carbamimidoyl-[3-(3-chloranyl-5-phenylmethoxycarbonyl-phenoxy)propoxy]-[(2-methylpropan-2-yl)oxycarbonyl]azanium iodide

Systemtic Name: carbamimidoyl-[3-(3-chloranyl-5-phenylmethoxycarbonyl-phenoxy)propoxy]-[(2-methylpropan-2-yl)oxycarbonyl]azanium iodide Openeye Name: 3-(3-benzyloxycarbonyl-5-chloro-phenoxy)propoxy-tert-butoxycarbonyl-carbamimidoyl-ammonium iodide CAS Name: carbamimidoyl-[3-(3-chloro-5-phenylmethoxycarbonylphenoxy)propoxy]-[(2-methylpropan-2-yl)oxy-oxomethyl]ammonium iodide IUPAC Name: carbamimidoyl-[3-(3-chloro-5-phenylmethoxycarbonylphenoxy)propoxy]-[(2-methylpropan-2-yl)oxycarbonyl]azanium iodide Traditional Name: amidino-tert-butoxycarbonyl-[3-(3-carbobenzoxy-5-chloro-phenoxy)propoxy]ammonium iodide Formula: C23H29ClIN3O6 MolecularWeight: 605.85033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[NH+](C(=N)N)OCCCOC1=CC(=CC(=C1)C(=O)OCC2=CC=CC=C2)Cl.[I-]

Isomeric SMILES

CC(C)(C)OC(=O)[NH+](C(=N)N)OCCCOC1=CC(=CC(=C1)C(=O)OCC2=CC=CC=C2)Cl.[I-]

InChI

InChI=1S/C23H28ClN3O6.HI/c1-23(2,3)33-22(29)27(21(25)26)32-11-7-10-30-19-13-17(12-18(24)14-19)20(28)31-15-16-8-5-4-6-9-16;/h4-6,8-9,12-14H,7,10-11,15H2,1-3H3,(H3,25,26);1H