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

Systemtic Name: [3-ethoxy-5-iodanyl-4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]methyl-propan-2-yl-azanium Openeye Name: [3-ethoxy-5-iodo-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-isopropyl-ammonium CAS Name: [3-ethoxy-5-iodo-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-propan-2-ylammonium IUPAC Name: [3-ethoxy-5-iodo-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-propan-2-ylazanium Traditional Name: [3-ethoxy-5-iodo-4-[2-keto-2-(phenethylamino)ethoxy]benzyl]-isopropyl-ammonium Formula: C22H30IN2O3+ MolecularWeight: 497.38967

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)C)I)OCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)C)I)OCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C22H29IN2O3/c1-4-27-20-13-18(14-25-16(2)3)12-19(23)22(20)28-15-21(26)24-11-10-17-8-6-5-7-9-17/h5-9,12-13,16,25H,4,10-11,14-15H2,1-3H3,(H,24,26)/p+1