N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-morpholin-4-ium-4-yl-propanamide

Systemtic Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-morpholin-4-ium-4-yl-propanamide Openeye Name: N-[[(1S)-isochroman-1-yl]methyl]-3-morpholin-4-ium-4-yl-propanamide CAS Name: N-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-3-(4-morpholin-4-iumyl)propanamide IUPAC Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-morpholin-4-ium-4-ylpropanamide Traditional Name: N-[[(1S)-isochroman-1-yl]methyl]-3-morpholin-4-ium-4-yl-propionamide Formula: C17H25N2O3+ MolecularWeight: 305.392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNC(=O)CC[NH+]3CCOCC3

Isomeric SMILES

C1CO[C@@H](C2=CC=CC=C21)CNC(=O)CC[NH+]3CCOCC3

InChI

InChI=1S/C17H24N2O3/c20-17(5-7-19-8-11-21-12-9-19)18-13-16-15-4-2-1-3-14(15)6-10-22-16/h1-4,16H,5-13H2,(H,18,20)/p+1/t16-/m1/s1