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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-ethoxy-5-iodanyl-phenyl]methyl-(2-methylpropyl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-ethoxy-5-iodo-phenyl]methyl-isobutyl-ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]methyl-(2-methylpropyl)ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]methyl-(2-methylpropyl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-ethoxy-5-iodo-benzyl]-isobutyl-ammonium Formula: C15H24IN2O3+ MolecularWeight: 407.26713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23IN2O3/c1-4-20-13-6-11(8-18-7-10(2)3)5-12(16)15(13)21-9-14(17)19/h5-6,10,18H,4,7-9H2,1-3H3,(H2,17,19)/p+1