[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-ethoxy-phenyl]methyl-cycloheptyl-azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-ethoxy-phenyl]methyl-cycloheptyl-azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-ethoxy-phenyl]methyl-cycloheptyl-ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methyl-cycloheptylammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methyl-cycloheptylazanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-ethoxy-benzyl]-cycloheptyl-ammonium Formula: C18H28BrN2O3+ MolecularWeight: 400.33052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCCC2)Br)OCC(=O)N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCCC2)Br)OCC(=O)N

InChI

InChI=1S/C18H27BrN2O3/c1-2-23-16-10-13(9-15(19)18(16)24-12-17(20)22)11-21-14-7-5-3-4-6-8-14/h9-10,14,21H,2-8,11-12H2,1H3,(H2,20,22)/p+1