(3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methyl-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: (3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methyl-[(2S)-2-oxidanylpropyl]azanium Openeye Name: (4-allyloxy-3-bromo-5-ethoxy-phenyl)methyl-[(2S)-2-hydroxypropyl]ammonium CAS Name: (3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methyl-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: (3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methyl-[(2S)-2-hydroxypropyl]azanium Traditional Name: (4-allyloxy-3-bromo-5-ethoxy-benzyl)-[(2S)-2-hydroxypropyl]ammonium Formula: C15H23BrNO3+ MolecularWeight: 345.25202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C[C@H](C)O)Br)OCC=C

InChI

InChI=1S/C15H22BrNO3/c1-4-6-20-15-13(16)7-12(8-14(15)19-5-2)10-17-9-11(3)18/h4,7-8,11,17-18H,1,5-6,9-10H2,2-3H3/p+1/t11-/m0/s1