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

Systemtic Name: (E)-N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-(2-thienyl)acrylamide Formula: C21H24N3O2S2+ MolecularWeight: 414.56416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S2/c25-20(9-8-17-5-3-16-27-17)24(11-4-10-23-12-14-26-15-13-23)21-22-18-6-1-2-7-19(18)28-21/h1-3,5-9,16H,4,10-15H2/p+1/b9-8+