4-[4-(2-chloranyl-3,6-dimethyl-phenoxy)butyl]morpholin-4-ium

Systemtic Name: 4-[4-(2-chloranyl-3,6-dimethyl-phenoxy)butyl]morpholin-4-ium Openeye Name: 4-[4-(2-chloro-3,6-dimethyl-phenoxy)butyl]morpholin-4-ium CAS Name: 4-[4-(2-chloro-3,6-dimethylphenoxy)butyl]morpholin-4-ium IUPAC Name: 4-[4-(2-chloro-3,6-dimethylphenoxy)butyl]morpholin-4-ium Traditional Name: 4-[4-(2-chloro-3,6-dimethyl-phenoxy)butyl]morpholin-4-ium Formula: C16H25ClNO2+ MolecularWeight: 298.8282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)Cl)OCCCC[NH+]2CCOCC2

Isomeric SMILES

CC1=C(C(=C(C=C1)C)Cl)OCCCC[NH+]2CCOCC2

InChI

InChI=1S/C16H24ClNO2/c1-13-5-6-14(2)16(15(13)17)20-10-4-3-7-18-8-11-19-12-9-18/h5-6H,3-4,7-12H2,1-2H3/p+1