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

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)cyclohexanecarboxamide Openeye Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)cyclohexanecarboxamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]cyclohexanecarboxamide IUPAC Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)cyclohexanecarboxamide Traditional Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)cyclohexanecarboxamide Formula: C21H29FN3O2S+ MolecularWeight: 406.537263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CCC[NH+]2CCOCC2)C3=NC4=C(C=CC=C4S3)F

Isomeric SMILES

C1CCC(CC1)C(=O)N(CCC[NH+]2CCOCC2)C3=NC4=C(C=CC=C4S3)F

InChI

InChI=1S/C21H28FN3O2S/c22-17-8-4-9-18-19(17)23-21(28-18)25(20(26)16-6-2-1-3-7-16)11-5-10-24-12-14-27-15-13-24/h4,8-9,16H,1-3,5-7,10-15H2/p+1