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

Systemtic Name: [(2S)-3-(4-chloranyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-propan-2-yl-azanium Openeye Name: [(2S)-3-(4-chloro-2-methyl-phenoxy)-2-hydroxy-propyl]-isopropyl-ammonium CAS Name: [(2S)-3-(4-chloro-2-methylphenoxy)-2-hydroxypropyl]-propan-2-ylammonium IUPAC Name: [(2S)-3-(4-chloro-2-methylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium Traditional Name: [(2S)-3-(4-chloro-2-methyl-phenoxy)-2-hydroxy-propyl]-isopropyl-ammonium Formula: C13H21ClNO2+ MolecularWeight: 258.76434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20ClNO2/c1-9(2)15-7-12(16)8-17-13-5-4-11(14)6-10(13)3/h4-6,9,12,15-16H,7-8H2,1-3H3/p+1/t12-/m0/s1