[(2S)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]-2-oxidanyl-ethyl]-propan-2-yl-azanium

Systemtic Name: [(2S)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]-2-oxidanyl-ethyl]-propan-2-yl-azanium Openeye Name: [(2S)-2-hydroxy-2-(3-isobutoxy-4-methoxy-phenyl)ethyl]-isopropyl-ammonium CAS Name: [(2S)-2-hydroxy-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethyl]-propan-2-ylammonium IUPAC Name: [(2S)-2-hydroxy-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethyl]-propan-2-ylazanium Traditional Name: [(2S)-2-hydroxy-2-(3-isobutoxy-4-methoxy-phenyl)ethyl]-isopropyl-ammonium Formula: C16H28NO3+ MolecularWeight: 282.39842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=CC(=C1)C(C[NH2+]C(C)C)O)OC

Isomeric SMILES

CC(C)COC1=C(C=CC(=C1)[C@@H](C[NH2+]C(C)C)O)OC

InChI

InChI=1S/C16H27NO3/c1-11(2)10-20-16-8-13(6-7-15(16)19-5)14(18)9-17-12(3)4/h6-8,11-12,14,17-18H,9-10H2,1-5H3/p+1/t14-/m1/s1