N-(2,2-dimethyl-3-oxidanyl-propyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2,2-dimethyl-3-oxidanyl-propyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-hydroxy-2,2-dimethyl-propyl)-2-[(2R)-1-(1-naphthylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-(3-hydroxy-2,2-dimethylpropyl)-2-[(2R)-1-(1-naphthalenylmethyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-hydroxy-2,2-dimethylpropyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-hydroxy-2,2-dimethyl-propyl)-2-[(2R)-3-keto-1-(1-naphthylmethyl)piperazin-1-ium-2-yl]acetamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)CC1C(=O)NCC[NH+]1CC2=CC=CC3=CC=CC=C32)CO

Isomeric SMILES

CC(C)(CNC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC=CC3=CC=CC=C32)CO

InChI

InChI=1S/C22H29N3O3/c1-22(2,15-26)14-24-20(27)12-19-21(28)23-10-11-25(19)13-17-8-5-7-16-6-3-4-9-18(16)17/h3-9,19,26H,10-15H2,1-2H3,(H,23,28)(H,24,27)/p+1/t19-/m1/s1