[5-chloranyl-2-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylazanium

Systemtic Name: [5-chloranyl-2-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylazanium Openeye Name: [5-chloro-2-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylammonium CAS Name: [5-chloro-2-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylammonium IUPAC Name: [5-chloro-2-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylazanium Traditional Name: [5-chloro-2-[2-(3,4-dimethylphenoxy)ethoxy]benzyl]ammonium Formula: C17H21ClNO2+ MolecularWeight: 306.80714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCOC2=C(C=C(C=C2)Cl)C[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCOC2=C(C=C(C=C2)Cl)C[NH3+])C

InChI

InChI=1S/C17H20ClNO2/c1-12-3-5-16(9-13(12)2)20-7-8-21-17-6-4-15(18)10-14(17)11-19/h3-6,9-10H,7-8,11,19H2,1-2H3/p+1