[3-chloranyl-5-methoxy-4-[2-oxidanylidene-2-(propylamino)ethoxy]phenyl]methylazanium

Systemtic Name: [3-chloranyl-5-methoxy-4-[2-oxidanylidene-2-(propylamino)ethoxy]phenyl]methylazanium Openeye Name: [3-chloro-5-methoxy-4-[2-oxo-2-(propylamino)ethoxy]phenyl]methylammonium CAS Name: [3-chloro-5-methoxy-4-[2-oxo-2-(propylamino)ethoxy]phenyl]methylammonium IUPAC Name: [3-chloro-5-methoxy-4-[2-oxo-2-(propylamino)ethoxy]phenyl]methylazanium Traditional Name: [3-chloro-4-[2-keto-2-(propylamino)ethoxy]-5-methoxy-benzyl]ammonium Formula: C13H20ClN2O3+ MolecularWeight: 287.7625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC1=C(C=C(C=C1Cl)C[NH3+])OC

Isomeric SMILES

CCCNC(=O)COC1=C(C=C(C=C1Cl)C[NH3+])OC

InChI

InChI=1S/C13H19ClN2O3/c1-3-4-16-12(17)8-19-13-10(14)5-9(7-15)6-11(13)18-2/h5-6H,3-4,7-8,15H2,1-2H3,(H,16,17)/p+1