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

Systemtic Name: N-(1-adamantyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-[(2R)-2-(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:

C1CC[NH+](C(C1)C2=NC3=CC=CC=C3S2)CC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC[NH+]([C@H](C1)C2=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)15-27-8-4-3-6-20(27)23-25-19-5-1-2-7-21(19)29-23/h1-2,5,7,16-18,20H,3-4,6,8-15H2,(H,26,28)/p+1/t16?,17?,18?,20-,24?/m1/s1