2-[4-(4-chloranyl-5-methyl-2-oxidanyl-phenyl)phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-(4-chloranyl-5-methyl-2-oxidanyl-phenyl)phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[4-(4-chloro-2-hydroxy-5-methyl-phenyl)phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[4-(4-chloro-2-hydroxy-5-methylphenyl)phenoxy]ethyl-dimethylammonium IUPAC Name: 2-[4-(4-chloro-2-hydroxy-5-methylphenyl)phenoxy]ethyl-dimethylazanium Traditional Name: 2-[4-(4-chloro-2-hydroxy-5-methyl-phenyl)phenoxy]ethyl-dimethyl-ammonium Formula: C17H21ClNO2+ MolecularWeight: 306.80714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=CC=C(C=C2)OCC[NH+](C)C)O)Cl

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=CC=C(C=C2)OCC[NH+](C)C)O)Cl

InChI

InChI=1S/C17H20ClNO2/c1-12-10-15(17(20)11-16(12)18)13-4-6-14(7-5-13)21-9-8-19(2)3/h4-7,10-11,20H,8-9H2,1-3H3/p+1