3-(2-tert-butyl-4-chloranyl-phenoxy)propyl-[(2R)-2-oxidanylpropyl]azanium

Systemtic Name: 3-(2-tert-butyl-4-chloranyl-phenoxy)propyl-[(2R)-2-oxidanylpropyl]azanium Openeye Name: 3-(2-tert-butyl-4-chloro-phenoxy)propyl-[(2R)-2-hydroxypropyl]ammonium CAS Name: 3-(2-tert-butyl-4-chlorophenoxy)propyl-[(2R)-2-hydroxypropyl]ammonium IUPAC Name: 3-(2-tert-butyl-4-chlorophenoxy)propyl-[(2R)-2-hydroxypropyl]azanium Traditional Name: 3-(2-tert-butyl-4-chloro-phenoxy)propyl-[(2R)-2-hydroxypropyl]ammonium Formula: C16H27ClNO2+ MolecularWeight: 300.84408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]CCCOC1=C(C=C(C=C1)Cl)C(C)(C)C)O

Isomeric SMILES

C[C@H](C[NH2+]CCCOC1=C(C=C(C=C1)Cl)C(C)(C)C)O

InChI

InChI=1S/C16H26ClNO2/c1-12(19)11-18-8-5-9-20-15-7-6-13(17)10-14(15)16(2,3)4/h6-7,10,12,18-19H,5,8-9,11H2,1-4H3/p+1/t12-/m1/s1