N-(2-adamantyl)-2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2-adamantyl)-2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(2-adamantyl)-2-[(2R)-3-oxo-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-(2-adamantyl)-2-[(2R)-3-oxo-1-(2-pyridinylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-adamantyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: N-(2-adamantyl)-2-[(2R)-3-keto-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]acetamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NC2C3CC4CC(C3)CC2C4)CC5=CC=CC=N5

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NC2C3CC4CC(C3)CC2C4)CC5=CC=CC=N5

InChI

InChI=1S/C22H30N4O2/c27-20(25-21-16-8-14-7-15(10-16)11-17(21)9-14)12-19-22(28)24-5-6-26(19)13-18-3-1-2-4-23-18/h1-4,14-17,19,21H,5-13H2,(H,24,28)(H,25,27)/p+1/t14?,15?,16?,17?,19-,21?/m1/s1