[(2S)-4-(4-chloranyl-3,5-dimethyl-phenoxy)-2-(diethylamino)butyl]azanium

Systemtic Name: [(2S)-4-(4-chloranyl-3,5-dimethyl-phenoxy)-2-(diethylamino)butyl]azanium Openeye Name: [(2S)-4-(4-chloro-3,5-dimethyl-phenoxy)-2-(diethylamino)butyl]ammonium CAS Name: [(2S)-4-(4-chloro-3,5-dimethylphenoxy)-2-(diethylamino)butyl]ammonium IUPAC Name: [(2S)-4-(4-chloro-3,5-dimethylphenoxy)-2-(diethylamino)butyl]azanium Traditional Name: [(2S)-4-(4-chloro-3,5-dimethyl-phenoxy)-2-(diethylamino)butyl]ammonium Formula: C16H28ClN2O+ MolecularWeight: 299.85932

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CCOC1=CC(=C(C(=C1)C)Cl)C)C[NH3+]

Isomeric SMILES

CCN(CC)[C@@H](CCOC1=CC(=C(C(=C1)C)Cl)C)C[NH3+]

InChI

InChI=1S/C16H27ClN2O/c1-5-19(6-2)14(11-18)7-8-20-15-9-12(3)16(17)13(4)10-15/h9-10,14H,5-8,11,18H2,1-4H3/p+1/t14-/m0/s1