tert-butyl-[(2S)-2-(3-methoxy-4-propan-2-yloxy-phenyl)-2-oxidanyl-ethyl]azanium

Systemtic Name: tert-butyl-[(2S)-2-(3-methoxy-4-propan-2-yloxy-phenyl)-2-oxidanyl-ethyl]azanium Openeye Name: tert-butyl-[(2S)-2-hydroxy-2-(4-isopropoxy-3-methoxy-phenyl)ethyl]ammonium CAS Name: tert-butyl-[(2S)-2-hydroxy-2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]ammonium IUPAC Name: tert-butyl-[(2S)-2-hydroxy-2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]azanium Traditional Name: tert-butyl-[(2S)-2-hydroxy-2-(4-isopropoxy-3-methoxy-phenyl)ethyl]ammonium Formula: C16H28NO3+ MolecularWeight: 282.39842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(C[NH2+]C(C)(C)C)O)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)[C@@H](C[NH2+]C(C)(C)C)O)OC

InChI

InChI=1S/C16H27NO3/c1-11(2)20-14-8-7-12(9-15(14)19-6)13(18)10-17-16(3,4)5/h7-9,11,13,17-18H,10H2,1-6H3/p+1/t13-/m1/s1