[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-ethoxy-5-iodanyl-phenyl]methyl-propan-2-yl-azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-ethoxy-5-iodanyl-phenyl]methyl-propan-2-yl-azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-ethoxy-5-iodo-phenyl]methyl-isopropyl-ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]methyl-propan-2-ylammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]methyl-propan-2-ylazanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-ethoxy-5-iodo-benzyl]-isopropyl-ammonium Formula: C14H22IN2O3+ MolecularWeight: 393.24055

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)C)I)OCC(=O)N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)C)I)OCC(=O)N

InChI

InChI=1S/C14H21IN2O3/c1-4-19-12-6-10(7-17-9(2)3)5-11(15)14(12)20-8-13(16)18/h5-6,9,17H,4,7-8H2,1-3H3,(H2,16,18)/p+1