3-(1,3-benzothiazol-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[(1R)-2-(4-morpholin-4-iumyl)-1-phenylethyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]propionamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)NC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCC[NH+]1C[C@@H](C2=CC=CC=C2)NC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O2S/c26-21(10-11-22-24-18-8-4-5-9-20(18)28-22)23-19(17-6-2-1-3-7-17)16-25-12-14-27-15-13-25/h1-9,19H,10-16H2,(H,23,26)/p+1/t19-/m0/s1