N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC3=C(C=C2)N=CS3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC3=C(C=C2)N=CS3)[NH+]4CCCCC4

InChI

InChI=1S/C20H27N3OS/c24-19(16-7-8-17-18(13-16)25-15-22-17)21-14-20(9-3-1-4-10-20)23-11-5-2-6-12-23/h7-8,13,15H,1-6,9-12,14H2,(H,21,24)/p+1