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

Systemtic Name: [(2S)-3-(4-chloranyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-(2-methylpropyl)azanium Openeye Name: [(2S)-3-(4-chloro-2-methyl-phenoxy)-2-hydroxy-propyl]-isobutyl-ammonium CAS Name: [(2S)-3-(4-chloro-2-methylphenoxy)-2-hydroxypropyl]-(2-methylpropyl)ammonium IUPAC Name: [(2S)-3-(4-chloro-2-methylphenoxy)-2-hydroxypropyl]-(2-methylpropyl)azanium Traditional Name: [(2S)-3-(4-chloro-2-methyl-phenoxy)-2-hydroxy-propyl]-isobutyl-ammonium Formula: C14H23ClNO2+ MolecularWeight: 272.79092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22ClNO2/c1-10(2)7-16-8-13(17)9-18-14-5-4-12(15)6-11(14)3/h4-6,10,13,16-17H,7-9H2,1-3H3/p+1/t13-/m0/s1