N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenoxy-ethanamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenoxy-ethanamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenoxy-acetamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-phenoxyacetamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenoxyacetamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenoxy-acetamide Formula: C21H23FN3O3S+ MolecularWeight: 416.489023

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN(C2=NC3=C(S2)C=C(C=C3)F)C(=O)COC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCN(C2=NC3=C(S2)C=C(C=C3)F)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C21H22FN3O3S/c22-16-6-7-18-19(14-16)29-21(23-18)25(9-8-24-10-12-27-13-11-24)20(26)15-28-17-4-2-1-3-5-17/h1-7,14H,8-13,15H2/p+1