[(2S)-2-(4-ethoxy-3-methoxy-phenyl)-2-oxidanyl-propyl]-(2-methylpropyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)(C[NH2+]CC(C)C)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@@](C)(C[NH2+]CC(C)C)O)OC

InChI

InChI=1S/C16H27NO3/c1-6-20-14-8-7-13(9-15(14)19-5)16(4,18)11-17-10-12(2)3/h7-9,12,17-18H,6,10-11H2,1-5H3/p+1/t16-/m1/s1