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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN(C2=NC3=CC=CC=C3S2)C(=O)C=CC4=CC=CS4

Isomeric SMILES

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

InChI

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