(5-chloranyl-2-methoxy-phenyl)methyl-[(2S)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-[(2S)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-[(2S)-3-(4-cyanophenoxy)-2-hydroxy-propyl]-methyl-ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]-methylammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]-methylazanium Traditional Name: (5-chloro-2-methoxy-benzyl)-[(2S)-3-(4-cyanophenoxy)-2-hydroxy-propyl]-methyl-ammonium Formula: C19H22ClN2O3+ MolecularWeight: 361.84258

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Cl)OC)CC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Cl)OC)C[C@@H](COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C19H21ClN2O3/c1-22(11-15-9-16(20)5-8-19(15)24-2)12-17(23)13-25-18-6-3-14(10-21)4-7-18/h3-9,17,23H,11-13H2,1-2H3/p+1/t17-/m0/s1