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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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