1-(1-adamantyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanone Openeye Name: 1-(1-adamantyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanone CAS Name: 1-(1-adamantyl)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-(1-adamantyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanone Traditional Name: 1-(1-adamantyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanone Formula: C24H31N2OS+ MolecularWeight: 395.58074

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H30N2OS/c27-22(24-12-16-9-17(13-24)11-18(10-16)14-24)15-26-7-5-19(6-8-26)23-25-20-3-1-2-4-21(20)28-23/h1-4,16-19H,5-15H2/p+1