[(2S)-3-[(2-ethanoyl-1-benzofuran-7-yl)oxy]-2-oxidanyl-propyl]-propan-2-yl-azanium

Systemtic Name: [(2S)-3-[(2-ethanoyl-1-benzofuran-7-yl)oxy]-2-oxidanyl-propyl]-propan-2-yl-azanium Openeye Name: [(2S)-3-(2-acetylbenzofuran-7-yl)oxy-2-hydroxy-propyl]-isopropyl-ammonium CAS Name: [(2S)-3-[(2-acetyl-7-benzofuranyl)oxy]-2-hydroxypropyl]-propan-2-ylammonium IUPAC Name: [(2S)-3-[(2-acetyl-1-benzofuran-7-yl)oxy]-2-hydroxypropyl]-propan-2-ylazanium Traditional Name: [(2S)-3-(2-acetylbenzofuran-7-yl)oxy-2-hydroxy-propyl]-isopropyl-ammonium Formula: C16H22NO4+ MolecularWeight: 292.35018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC(COC1=CC=CC2=C1OC(=C2)C(=O)C)O

Isomeric SMILES

CC(C)[NH2+]C[C@@H](COC1=CC=CC2=C1OC(=C2)C(=O)C)O

InChI

InChI=1S/C16H21NO4/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14/h4-7,10,13,17,19H,8-9H2,1-3H3/p+1/t13-/m0/s1