2-[(2S)-1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-indol-1-ylpropyl)ethanamide

Systemtic Name: 2-[(2S)-1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-indol-1-ylpropyl)ethanamide Openeye Name: 2-[(2S)-1-(2,2-dimethylpropyl)-3-oxo-piperazin-1-ium-2-yl]-N-(3-indol-1-ylpropyl)acetamide CAS Name: 2-[(2S)-1-(2,2-dimethylpropyl)-3-oxo-2-piperazin-1-iumyl]-N-[3-(1-indolyl)propyl]acetamide IUPAC Name: 2-[(2S)-1-(2,2-dimethylpropyl)-3-oxopiperazin-1-ium-2-yl]-N-(3-indol-1-ylpropyl)acetamide Traditional Name: N-(3-indol-1-ylpropyl)-2-[(2S)-3-keto-1-neopentyl-piperazin-1-ium-2-yl]acetamide Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCNC(=O)C1CC(=O)NCCCN2C=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C[NH+]1CCNC(=O)[C@@H]1CC(=O)NCCCN2C=CC3=CC=CC=C32

InChI

InChI=1S/C22H32N4O2/c1-22(2,3)16-26-14-11-24-21(28)19(26)15-20(27)23-10-6-12-25-13-9-17-7-4-5-8-18(17)25/h4-5,7-9,13,19H,6,10-12,14-16H2,1-3H3,(H,23,27)(H,24,28)/p+1/t19-/m0/s1