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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21ClN2O/c1-10-8-11(14)4-5-13(10)17-7-6-12(9-15)16(2)3/h4-5,8,12H,6-7,9,15H2,1-3H3/p+1/t12-/m0/s1