2-[4-(3-azanyl-4-chloranyl-phenyl)phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-(3-azanyl-4-chloranyl-phenyl)phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[4-(3-amino-4-chloro-phenyl)phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[4-(3-amino-4-chlorophenyl)phenoxy]ethyl-dimethylammonium IUPAC Name: 2-[4-(3-amino-4-chlorophenyl)phenoxy]ethyl-dimethylazanium Traditional Name: 2-[4-(3-amino-4-chloro-phenyl)phenoxy]ethyl-dimethyl-ammonium Formula: C16H20ClN2O+ MolecularWeight: 291.7958

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)N

Isomeric SMILES

C[NH+](C)CCOC1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C16H19ClN2O/c1-19(2)9-10-20-14-6-3-12(4-7-14)13-5-8-15(17)16(18)11-13/h3-8,11H,9-10,18H2,1-2H3/p+1