(E)-N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylprop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-acrylamide Formula: C22H24N3O2S+ MolecularWeight: 394.50986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN(C2=NC3=CC=CC=C3S2)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCN(C2=NC3=CC=CC=C3S2)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S/c26-21(11-10-18-6-2-1-3-7-18)25(13-12-24-14-16-27-17-15-24)22-23-19-8-4-5-9-20(19)28-22/h1-11H,12-17H2/p+1/b11-10+