[(2S)-4-(2-chloranyl-5-methyl-phenoxy)-2-(dimethylamino)butyl]azanium

Systemtic Name: [(2S)-4-(2-chloranyl-5-methyl-phenoxy)-2-(dimethylamino)butyl]azanium Openeye Name: [(2S)-4-(2-chloro-5-methyl-phenoxy)-2-(dimethylamino)butyl]ammonium CAS Name: [(2S)-4-(2-chloro-5-methylphenoxy)-2-(dimethylamino)butyl]ammonium IUPAC Name: [(2S)-4-(2-chloro-5-methylphenoxy)-2-(dimethylamino)butyl]azanium Traditional Name: [(2S)-4-(2-chloro-5-methyl-phenoxy)-2-(dimethylamino)butyl]ammonium Formula: C13H22ClN2O+ MolecularWeight: 257.77958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCCC(C[NH3+])N(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC[C@@H](C[NH3+])N(C)C

InChI

InChI=1S/C13H21ClN2O/c1-10-4-5-12(14)13(8-10)17-7-6-11(9-15)16(2)3/h4-5,8,11H,6-7,9,15H2,1-3H3/p+1/t11-/m0/s1