2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Formula: C20H28N3O2S2+ MolecularWeight: 406.58522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CSC2=NC3=CC=CC=C3S2)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CSC2=NC3=CC=CC=C3S2)[NH+]4CCOCC4

InChI

InChI=1S/C20H27N3O2S2/c24-18(14-26-19-22-16-6-2-3-7-17(16)27-19)21-15-20(8-4-1-5-9-20)23-10-12-25-13-11-23/h2-3,6-7H,1,4-5,8-15H2,(H,21,24)/p+1