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

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)cyclohexanecarboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)cyclohexanecarboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]cyclohexanecarboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)cyclohexanecarboxamide Traditional Name: N-(6-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(S3)C=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)C(=O)N(CCC[NH+]2CCOCC2)C3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C21H28FN3O2S/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/h7-8,15-16H,1-6,9-14H2/p+1