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

Systemtic Name: N-(2-adamantyl)-2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(2-adamantyl)-2-[(2R)-1-benzyl-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-(2-adamantyl)-2-[(2R)-3-oxo-1-(phenylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-adamantyl)-2-[(2R)-1-benzyl-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(2-adamantyl)-2-[(2R)-1-benzyl-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NC2C3CC4CC(C3)CC2C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NC2C3CC4CC(C3)CC2C4)CC5=CC=CC=C5

InChI

InChI=1S/C23H31N3O2/c27-21(25-22-18-9-16-8-17(11-18)12-19(22)10-16)13-20-23(28)24-6-7-26(20)14-15-4-2-1-3-5-15/h1-5,16-20,22H,6-14H2,(H,24,28)(H,25,27)/p+1/t16?,17?,18?,19?,20-,22?/m1/s1