3-ethenoxypropyl-[(3S)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium

Systemtic Name: 3-ethenoxypropyl-[(3S)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium Openeye Name: [(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-(3-vinyloxypropyl)ammonium CAS Name: 3-ethenoxypropyl-[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]ammonium IUPAC Name: 3-ethenoxypropyl-[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]azanium Traditional Name: [(3S)-6-hydroxycoumaran-3-yl]-(3-vinyloxypropyl)ammonium Formula: C13H18NO3+ MolecularWeight: 236.28692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=COCCC[NH2+]C1COC2=C1C=CC(=C2)O

Isomeric SMILES

C=COCCC[NH2+][C@@H]1COC2=C1C=CC(=C2)O

InChI

InChI=1S/C13H17NO3/c1-2-16-7-3-6-14-12-9-17-13-8-10(15)4-5-11(12)13/h2,4-5,8,12,14-15H,1,3,6-7,9H2/p+1/t12-/m1/s1