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

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methoxy-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-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=C(C=C1)C(=O)N(CC[NH+]2CCOCC2)C3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CC[NH+]2CCOCC2)C3=NC4=C(S3)C=C(C=C4)F

InChI

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