[2-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-5-bromanyl-phenyl]methylazanium

Systemtic Name: [2-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-5-bromanyl-phenyl]methylazanium Openeye Name: [2-[2-(azepan-1-yl)-2-oxo-ethoxy]-5-bromo-phenyl]methylammonium CAS Name: [2-[2-(1-azepanyl)-2-oxoethoxy]-5-bromophenyl]methylammonium IUPAC Name: [2-[2-(azepan-1-yl)-2-oxoethoxy]-5-bromophenyl]methylazanium Traditional Name: [2-[2-(azepan-1-yl)-2-keto-ethoxy]-5-bromo-benzyl]ammonium Formula: C15H22BrN2O2+ MolecularWeight: 342.25138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)Br)C[NH3+]

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)Br)C[NH3+]

InChI

InChI=1S/C15H21BrN2O2/c16-13-5-6-14(12(9-13)10-17)20-11-15(19)18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10-11,17H2/p+1