(3-ethoxy-4-oxidanyl-phenyl)methyl-[(2S)-pentan-2-yl]azanium

Systemtic Name: (3-ethoxy-4-oxidanyl-phenyl)methyl-[(2S)-pentan-2-yl]azanium Openeye Name: (3-ethoxy-4-hydroxy-phenyl)methyl-[(1S)-1-methylbutyl]ammonium CAS Name: (3-ethoxy-4-hydroxyphenyl)methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: (3-ethoxy-4-hydroxyphenyl)methyl-[(2S)-pentan-2-yl]azanium Traditional Name: (3-ethoxy-4-hydroxy-benzyl)-[(1S)-1-methylbutyl]ammonium Formula: C14H24NO2+ MolecularWeight: 238.34586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]CC1=CC(=C(C=C1)O)OCC

Isomeric SMILES

CCC[C@H](C)[NH2+]CC1=CC(=C(C=C1)O)OCC

InChI

InChI=1S/C14H23NO2/c1-4-6-11(3)15-10-12-7-8-13(16)14(9-12)17-5-2/h7-9,11,15-16H,4-6,10H2,1-3H3/p+1/t11-/m0/s1