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

Systemtic Name: 3-(4-chloranyl-3-methyl-phenoxy)propyl-[(2S)-2-oxidanylpropyl]azanium Openeye Name: 3-(4-chloro-3-methyl-phenoxy)propyl-[(2S)-2-hydroxypropyl]ammonium CAS Name: 3-(4-chloro-3-methylphenoxy)propyl-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: 3-(4-chloro-3-methylphenoxy)propyl-[(2S)-2-hydroxypropyl]azanium Traditional Name: 3-(4-chloro-3-methyl-phenoxy)propyl-[(2S)-2-hydroxypropyl]ammonium Formula: C13H21ClNO2+ MolecularWeight: 258.76434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20ClNO2/c1-10-8-12(4-5-13(10)14)17-7-3-6-15-9-11(2)16/h4-5,8,11,15-16H,3,6-7,9H2,1-2H3/p+1/t11-/m0/s1