[(2S)-3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]-(2-methoxyethyl)azanium

Systemtic Name: [(2S)-3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]-(2-methoxyethyl)azanium Openeye Name: [(2S)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]-(2-methoxyethyl)ammonium CAS Name: [(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-(2-methoxyethyl)ammonium IUPAC Name: [(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-(2-methoxyethyl)azanium Traditional Name: [(2S)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]-(2-methoxyethyl)ammonium Formula: C13H21ClNO3+ MolecularWeight: 274.76374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C[NH2+]CCOC)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](C[NH2+]CCOC)O)Cl

InChI

InChI=1S/C13H20ClNO3/c1-10-7-12(3-4-13(10)14)18-9-11(16)8-15-5-6-17-2/h3-4,7,11,15-16H,5-6,8-9H2,1-2H3/p+1/t11-/m0/s1