N-(tert-butylcarbamoyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanamide chloride

Systemtic Name: N-(tert-butylcarbamoyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanamide chloride Openeye Name: N-(tert-butylcarbamoyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]acetamide chloride CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[4-[(4-nitrophenyl)methyl]-1-pyridin-1-iumyl]acetamide chloride IUPAC Name: N-(tert-butylcarbamoyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]acetamide chloride Traditional Name: N-(tert-butylcarbamoyl)-2-[4-(4-nitrobenzyl)pyridin-1-ium-1-yl]acetamide chloride Formula: C19H23ClN4O4 MolecularWeight: 406.86332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)C[N+]1=CC=C(C=C1)CC2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)C[N+]1=CC=C(C=C1)CC2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C19H22N4O4.ClH/c1-19(2,3)21-18(25)20-17(24)13-22-10-8-15(9-11-22)12-14-4-6-16(7-5-14)23(26)27;/h4-11H,12-13H2,1-3H3,(H-,20,21,24,25);1H