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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+]3CCOCC3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+]3CCOCC3)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H22FN3O2S/c1-15-5-6-18-19(13-15)28-21(23-18)25(8-7-24-9-11-27-12-10-24)20(26)16-3-2-4-17(22)14-16/h2-6,13-14H,7-12H2,1H3/p+1