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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[(2R)-3-methyl-2-(4-morpholin-4-iumyl)butyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[(2R)-3-methyl-2-morpholin-4-ium-4-ylbutyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]propionamide Formula: C19H28N3O2S+ MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)CCC1=NC2=CC=CC=C2S1)[NH+]3CCOCC3

Isomeric SMILES

CC(C)[C@H](CNC(=O)CCC1=NC2=CC=CC=C2S1)[NH+]3CCOCC3

InChI

InChI=1S/C19H27N3O2S/c1-14(2)16(22-9-11-24-12-10-22)13-20-18(23)7-8-19-21-15-5-3-4-6-17(15)25-19/h3-6,14,16H,7-13H2,1-2H3,(H,20,23)/p+1/t16-/m0/s1