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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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