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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N(CC[NH+]2CCOCC2)C3=NC4=C(C=CC=C4S3)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N(CC[NH+]2CCOCC2)C3=NC4=C(C=CC=C4S3)F

InChI

InChI=1S/C21H22FN3O3S/c1-27-16-5-2-4-15(14-16)20(26)25(9-8-24-10-12-28-13-11-24)21-23-19-17(22)6-3-7-18(19)29-21/h2-7,14H,8-13H2,1H3/p+1