N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide Openeye Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]butanamide IUPAC Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide Traditional Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butyramide Formula: C17H23FN3O2S+ MolecularWeight: 352.446823

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CC[NH+]1CCOCC1)C2=NC3=C(C=CC=C3S2)F

Isomeric SMILES

CCCC(=O)N(CC[NH+]1CCOCC1)C2=NC3=C(C=CC=C3S2)F

InChI

InChI=1S/C17H22FN3O2S/c1-2-4-15(22)21(8-7-20-9-11-23-12-10-20)17-19-16-13(18)5-3-6-14(16)24-17/h3,5-6H,2,4,7-12H2,1H3/p+1