2-[4-[[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-ethyl-carbamoyl]amino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-ethyl-carbamoyl]amino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[[[2-(tert-butylamino)-2-oxo-ethyl]-ethyl-carbamoyl]amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-oxomethyl]amino]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]amino]piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[[[2-(tert-butylamino)-2-keto-ethyl]-ethyl-carbamoyl]amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C22H36N5O3+ MolecularWeight: 418.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC(C)(C)C)C(=O)NC1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCN(CC(=O)NC(C)(C)C)C(=O)NC1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H35N5O3/c1-5-27(16-20(29)25-22(2,3)4)21(30)24-18-11-13-26(14-12-18)15-19(28)23-17-9-7-6-8-10-17/h6-10,18H,5,11-16H2,1-4H3,(H,23,28)(H,24,30)(H,25,29)/p+1