[(2S)-butan-2-yl]-[(3-ethoxy-4-prop-2-enoxy-phenyl)methyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(3-ethoxy-4-prop-2-enoxy-phenyl)methyl]azanium Openeye Name: (4-allyloxy-3-ethoxy-phenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxy-3-ethoxy-benzyl)-[(1S)-1-methylpropyl]ammonium Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2/c1-5-10-19-15-9-8-14(11-16(15)18-7-3)12-17-13(4)6-2/h5,8-9,11,13,17H,1,6-7,10,12H2,2-4H3/p+1/t13-/m0/s1