(E)-3-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]prop-2-enamide Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]prop-2-enamide Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]acrylamide Formula: C20H22N3O2S2+ MolecularWeight: 400.53758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C=CC2=NC3=CC=CC=C3S2)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC(=O)/C=C/C2=NC3=CC=CC=C3S2)C4=CC=CS4

InChI

InChI=1S/C20H21N3O2S2/c24-19(7-8-20-22-15-4-1-2-5-17(15)27-20)21-14-16(18-6-3-13-26-18)23-9-11-25-12-10-23/h1-8,13,16H,9-12,14H2,(H,21,24)/p+1/b8-7+/t16-/m1/s1