1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3-morpholin-4-ium-4-yl-propan-1-one

Systemtic Name: 1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3-morpholin-4-ium-4-yl-propan-1-one Openeye Name: 1-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]-3-morpholin-4-ium-4-yl-propan-1-one CAS Name: 1-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]-3-(4-morpholin-4-iumyl)-1-propanone IUPAC Name: 1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3-morpholin-4-ium-4-ylpropan-1-one Traditional Name: 1-[(2S)-2-methylcoumaran-5-yl]-3-morpholin-4-ium-4-yl-propan-1-one Formula: C16H22NO3+ MolecularWeight: 276.35078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C(=O)CC[NH+]3CCOCC3

Isomeric SMILES

C[C@H]1CC2=C(O1)C=CC(=C2)C(=O)CC[NH+]3CCOCC3

InChI

InChI=1S/C16H21NO3/c1-12-10-14-11-13(2-3-16(14)20-12)15(18)4-5-17-6-8-19-9-7-17/h2-3,11-12H,4-10H2,1H3/p+1/t12-/m0/s1