(5-chloranyl-2-methoxy-phenyl)methyl-[(2S)-3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-[(2S)-3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]-methyl-ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-methylammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-methylazanium Traditional Name: (5-chloro-2-methoxy-benzyl)-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]-methyl-ammonium Formula: C20H27ClNO3+ MolecularWeight: 364.88628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(C[NH+](C)CC2=C(C=CC(=C2)Cl)OC)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC[C@H](C[NH+](C)CC2=C(C=CC(=C2)Cl)OC)O

InChI

InChI=1S/C20H26ClNO3/c1-14-5-6-15(2)20(9-14)25-13-18(23)12-22(3)11-16-10-17(21)7-8-19(16)24-4/h5-10,18,23H,11-13H2,1-4H3/p+1/t18-/m0/s1