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

Systemtic Name: N-(1-adamantyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide Formula: C24H32N3OS+ MolecularWeight: 410.59538

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H31N3OS/c28-22(26-24-12-16-9-17(13-24)11-18(10-16)14-24)15-27-7-5-19(6-8-27)23-25-20-3-1-2-4-21(20)29-23/h1-4,16-19H,5-15H2,(H,26,28)/p+1