[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-ethoxy-5-iodanyl-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-ethoxy-5-iodanyl-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-ethoxy-5-iodo-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-ethoxy-5-iodo-benzyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C18H30IN3O4+2 MolecularWeight: 479.35297

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)I)OCC(=O)N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)I)OCC(=O)N

InChI

InChI=1S/C18H28IN3O4/c1-2-25-16-11-14(10-15(19)18(16)26-13-17(20)23)12-21-4-3-5-22-6-8-24-9-7-22/h10-11,21H,2-9,12-13H2,1H3,(H2,20,23)/p+2