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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-iodanyl-5-methoxy-phenyl]methyl-propan-2-yl-azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-iodo-5-methoxy-phenyl]methyl-isopropyl-ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-iodo-5-methoxyphenyl]methyl-propan-2-ylammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-iodo-5-methoxyphenyl]methyl-propan-2-ylazanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-iodo-5-methoxy-benzyl]-isopropyl-ammonium Formula: C13H20IN2O3+ MolecularWeight: 379.21397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC1=CC(=C(C(=C1)I)OCC(=O)N)OC

Isomeric SMILES

CC(C)[NH2+]CC1=CC(=C(C(=C1)I)OCC(=O)N)OC

InChI

InChI=1S/C13H19IN2O3/c1-8(2)16-6-9-4-10(14)13(11(5-9)18-3)19-7-12(15)17/h4-5,8,16H,6-7H2,1-3H3,(H2,15,17)/p+1