2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N,N-dicyclohexyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N,N-dicyclohexyl-ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N,N-dicyclohexyl-acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N,N-dicyclohexylacetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N,N-dicyclohexylacetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N,N-dicyclohexyl-acetamide Formula: C26H38N3OS+ MolecularWeight: 440.66442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H37N3OS/c30-25(29(21-9-3-1-4-10-21)22-11-5-2-6-12-22)19-28-17-15-20(16-18-28)26-27-23-13-7-8-14-24(23)31-26/h7-8,13-14,20-22H,1-6,9-12,15-19H2/p+1