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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)acrylamide Formula: C16H20N3O2S+ MolecularWeight: 318.4139

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2S/c20-15(17-7-8-19-9-11-21-12-10-19)5-6-16-18-13-3-1-2-4-14(13)22-16/h1-6H,7-12H2,(H,17,20)/p+1/b6-5+