N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C21H23FN3O2S+ MolecularWeight: 400.489623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O2S/c22-17-7-8-18-19(15-17)28-21(23-18)25(20(26)16-5-2-1-3-6-16)10-4-9-24-11-13-27-14-12-24/h1-3,5-8,15H,4,9-14H2/p+1